1-ethyl-N-(6-methylpyridin-3-yl)-6-oxopiperidine-3-carboxamide

• ChemBase ID: 793042
• Molecular Formular: C14H19N3O2
• Molecular Mass: 261.31956
• Monoisotopic Mass: 261.14772686
• SMILES: N1(C(=O)CCC(C(=O)Nc2cnc(cc2)C)C1)CC
• Canonical SMILES: CCN1CC(CCC1=O)C(=O)Nc1ccc(nc1)C
• InChI: InChI=1S/C14H19N3O2/c1-3-17-9-11(5-7-13(17)18)14(19)16-12-6-4-10(2)15-8-12/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,16,19)
• InChIKey: GNMQRYKTWRPROI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-(6-methylpyridin-3-yl)-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-ethyl-N-(6-methylpyridin-3-yl)-6-oxopiperidine-3-carboxamide
• Synonyms: 1-ethyl-N-(6-methyl-3-pyridinyl)-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.82351
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.057647754
• LogD (pH = 7.4): 0.17042981
• Log P: 0.172095
• Molar Refractivity: 73.302 cm^3
• Polarizability: 27.61741 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.36
• LOG S: -2.27
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 3