1-(5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonyl)piperidine-3-carboxamide

• ChemBase ID: 675010
• Molecular Formular: C14H19N3O3
• Molecular Mass: 277.31896
• Monoisotopic Mass: 277.14264148
• SMILES: c1(C(=O)N2CC(C(=O)N)CCC2)c(=O)[nH]c(c(c1)C)C
• Canonical SMILES: NC(=O)C1CCCN(C1)C(=O)c1cc(C)c([nH]c1=O)C
• InChI: InChI=1S/C14H19N3O3/c1-8-6-11(13(19)16-9(8)2)14(20)17-5-3-4-10(7-17)12(15)18/h6,10H,3-5,7H2,1-2H3,(H2,15,18)(H,16,19)
• InChIKey: CRELMXIJKYWEEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
• Synonyms: 1-[(5,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.002615
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8879778
• LogD (pH = 7.4): -0.8880721
• Log P: -0.887976
• Molar Refractivity: 75.8864 cm^3
• Polarizability: 28.245935 Å^3
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -1.21
• LOG S: -1.5
• Polar Surface Area: 96.26 Å^2
• Rotatable Bonds: 2