2-Amino-4,6-dimethylpyridine-3-carboxamide

HCID 252216CAS 7144-20-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C)c(C(N)=O)c(N)n1
InChIKey
UYDGECQHZQNTQS-UHFFFAOYSA-N
Molecular formula
C8H11N3O
Average molar mass
165.19 g/mol
Monoisotopic mass
165.09021197

Names & identifiers

Preferred name
2-Amino-4,6-dimethylpyridine-3-carboxamide
IUPAC
2-amino-4,6-dimethylpyridine-3-carboxamide
English name
2-AMINO-4,6-DIMETHYL-3-PYRIDINECARBOXAMIDE
Molecular formula
C8H11N3O
Molecular weight
165.19

Names & synonyms

2-amino-4,6-dimethylpyridine-3-carboxamideDTXSID70291165RefChem:464020DTXCID90242311695-302-82-amino-4,6-dimethylnicotinamide7144-20-92-Amino-4,6-dimethyl-3-pyridinecarboxamideMFCD001385723-Pyridinecarboxamide, 2-amino-4,6-dimethyl-NSC73573Maybridge1_008455
Show more names
AKOS 91395ASISCHEM P68048Nicotinamide Impurity 1242-AMINO-4,6-DIMETHYLPYRIDINE-3-CARBOXAMI2-Amino-4,6-dimethyl-3-pyridinecarboxamide93%2-AMino-4,6-diMethyl-3-pyridinecarboxaMide, 93% 1GR
Oprea1_144686SCHEMBL147683SCHEMBL3182354SCHEMBL31295740HMS565I07UYDGECQHZQNTQS-UHFFFAOYSA-N2-amino-4,6-dimethyl-nicotinamideHAA14420

Database identifiers

CAS
7144-20-9
PubChem CID
252216
DTXSID
DTXSID70291165
EC Number
695-302-8

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
82 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
172 · 172-174 °C
Boiling point
293.03 °C · 293.03°C (rough estimate)
Density
1.1669 · 1.1669 (rough estimate)
refractive index
1.74 · 1.7400 (estimate)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
14.83 · 14.83±0.50(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
29333999
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
37/39-26

Chemistry & industry

Applications

Uses2-Amino-4,6-dimethylnicotinamide is used to prepare 2,6,8-trisubstituted 1-deazapurines as adenosine receptor antagonists.

Upstream & downstream products

Suppliers25 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

Loading…