Basic information
- CAS
713-05-3- Standard SMILES
CNC(=O)CCC(=O)c1cccnc1- InChIKey
WOOSCPWOYYLIHS-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987763
Overview
Oxoamide is an aromatic ketone.
Names & identifiers
- Preferred name
- N-Methyl-gamma-oxo-3-pyridinebutanamide
- IUPAC
- N-methyl-4-oxo-4-pyridin-3-ylbutanamide
- English name
- N-Methyl-G-oxo-3-pyridinebutanamide
- Molecular formula
- C10H12N2O2
- Molecular weight
- 192.21
Names & synonyms
Oxoamide713-05-3N-methyl-4-oxo-4-(pyridin-3-yl)butanamiden-methyl-gamma-oxo-3-pyridinebutanamideOL86R2ULD8gamma-(3-pyridyl)-gamma-oxo-N-methylbutyramideDTXSID808623853-Pyridinebutanamide, N-methyl-gamma-oxo-RefChem:927245DTXCID60811159N-methyl-4-oxo-4-pyridin-3-ylbutanamide4-oxo-4-(3-pyridyl)-N-methylbutanamide
Show more names
5HydroxycotinineCotinine Impurity 2N-Methyl--oxo-3-pyridinebutanamideN-Methyl-G-oxo-3-pyridinebutanamideN-Methyl-γ-oxo-3-pyridinebutanamide3-Pyridinebutanamide, N-methyl-γ-oxo-γ-(3-Pyridyl)-γ-oxo-N-MethylbutyraMide4-keto-N-methyl-4-(3-pyridyl)butyramideN-methyl-4-oxo-4-pyridin-3-yl-butanamide
4-(3-pyridyl)-4-oxo-N-methylbutyramideUNII-OL86R2ULD8SCHEMBL1954553CHEMBL3544600SCHEMBL30753625CHEBI:166504AKOS006293668BA-2702
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
LogP
-0.69
-0.13
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 117 · 117-120°C
- storage temp.
- -20 °C · -20°C Freezer
- FDA UNII
- 86 R2ULD8 · OL86R2ULD8
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-Oxo-4-(3-pyridyl)-N-methylbutanamide is a known thirdhand smoke metabolite of Nicotine.
Cellular LocationsCytoplasm
Applications
UsesAn metabolite of Cotinine. In equilibrium with 5Hydroxycotinine the cyclized form
Upstream & downstream products
Upstream raw materials
Suppliers7 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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