N-(5-Methyl-2-pyridinyl)-3-oxobutanamide

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Basic information

CAS: 16867-46-2
Standard SMILES: CC(=O)CC(=O)Nc1ccc(C)cn1
InChIKey: HOVYZMGQZFHEHY-UHFFFAOYSA-N
Molecular formula: C10H12N2O2
Average molar mass: 192.21 g/mol
Monoisotopic mass: 192.08987763

Names & identifiers

Preferred name: N-(5-Methyl-2-pyridinyl)-3-oxobutanamide
IUPAC: N-(5-methyl-2-pyridinyl)-3-oxobutanamide

Names & synonyms

N-(5-Methyl-2-pyridinyl)-3-oxobutanamide16867-46-2RefChem:362393N-(5-methylpyridin-2-yl)-3-oxobutanamideN-(5-Methyl-2-pyridyl)acetoacetamideDTXSID501275588AKOS024363978ST105001N-(5-methyl(2-pyridyl))-3-oxobutanamideN-(5-methyl-2-pyridyl)-3-oxo-butanamideST50995660

Database identifiers

CAS: 16867-46-2
PubChem CID: 459530
DTXSID: DTXSID501275588
Nikkaji: J1.378.828F

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 59.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 228

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Compound notes

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