Basic information
- CAS
61192-49-2- Standard SMILES
NC(=O)CCC(=O)c1cccnc1- InChIKey
DJEKVKGYYASXCW-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.07422757
Overview
4-Oxo-4-(3-pyridyl)-butanamide is an aromatic ketone.
Names & identifiers
- Preferred name
- 4-(3-Pyridyl)-4-oxobutyramide
- IUPAC
- 4-oxo-4-pyridin-3-ylbutanamide
- English name
- γ-Oxo-3-pyridinebutanamide
- Molecular formula
- C9H10N2O2
- Molecular weight
- 178.19
Names & synonyms
4-(3-pyridyl)-4-oxobutyramide61192-49-2POBAMDTXSID401335828RefChem:100260DTXCID1017657474-oxo-4-(3-pyridyl)-butanamide4-oxo-4-pyridin-3-ylbutanamidegamma-Oxo-3-pyridinebutanamide4-oxo-4-(pyridin-3-yl)butanamideSCHEMBL5191849CHEMBL3544622
Show more names
Cotinine Impurity 3γ-Oxo-3-pyridinebutanamide3-Pyridinebutanamide, γ-oxo-
CHEBI:166502NS00115020
Database identifiers
- CAS
61192-49-2- PubChem CID
- 435
- DTXSID
DTXSID401335828- ChEMBL
CHEMBL3544622- ChEBI
CHEBI:166502- Nikkaji
- J557.313K
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 454.4 · 454.4±25.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- pka
- 16.04 · 16.04±0.40(Predicted)
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-Oxo-4-(3-pyridyl)-butanamide is a known thirdhand smoke metabolite of Nicotine.
Cellular LocationsCytoplasm
Applications
Usesγ-Oxo-3-pyridinebutanamide is a metabolite of Nicotine (N412420), an alkaloid isolated from plants. Nicotine is an active stimulant, having both addictive and carcinogenic properties.
Suppliers2 total
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Additional notes
DefinitionChEBI: 4-Oxo-4-(3-pyridyl)-butanamide is an aromatic ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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