Basic information
- CAS
114-33-0- Standard SMILES
CNC(=O)c1cccnc1- InChIKey
ZYVXHFWBYUDDBM-UHFFFAOYSA-N- Molecular formula
- C7H8N2O
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.06366288
Overview
N-methylnicotinamide is a pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. It has a role as a metabolite. It is functionally related to a nicotinamide.
Names & identifiers
- Preferred name
- N'-Methylnicotinamide
- IUPAC
- N-methylpyridine-3-carboxamide
- English name
- N-Methylnicotinamide
- Molecular formula
- C7H8N2O
- Molecular weight
- 136.15
Names & synonyms
N-Methylnicotinamide114-33-0N-methylpyridine-3-carboxamideNicotinic acid methylamide3-(Methylcarbamoyl)pyridineNicotinyl MethylamideN-Methyl-3-pyridinecarboxamideN'-Methylnicotinamide3-(N-Methylcarbamoyl)pyridineNicotinamide, N-methyl-N-Methyl nicotineamideNSC-66521
Show more names
3-Pyridinecarboxamide, N-methyl-MethylnicotinamideMETHYLNICOTINAMIDE, N-N-Methylnicotinamide>Nicotinamide Impurity 7N-Methylnicotinamide,98%Nicotinamide Impurity 121
X3I82S5L8IN-Methyl-nicotinamideDTXSID00870467SR-4415CHEBI:64399RefChem:163867DTXCID20818189204-046-4
Database identifiers
- CAS
114-33-0- PubChem CID
- 64950
- DTXSID
DTXSID00870467- ChEMBL
CHEMBL11978
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
CosmeticsPersonal care product
SpringerMaterials PropertiesDensity
LogP
0.00
0.0
Melting Point103.5 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 102 · 102-105 °C(lit.)
- Boiling point
- 250.42 °C · 250.42°C (rough estimate)
- Density
- 1.1778 · 1.1778 (rough estimate)
- refractive index
- 1.5769 · 1.5769 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.97 · 13.97±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information3-Pyridinecarboxamide, N-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933.39.9200
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Absorption, Distribution and ExcretionN-methylnicotinamide is excreted in the urine.
Cellular LocationsCytoplasm
Applications
UsesN-Methylnicotinamide is a metabolite of Nicotinamide (N407750), which is a water-soluble vitamin B, incorporated within nicotinamide cofactors such as NADH and NADPH. N-Methylnicotinamide is commonly found in the human urine and is used as a biomarker to study diseases such as liver cirrhosis and type 2 diabetes.
Suppliers100 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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