N-(butan-2-yl)-N-cycloheptyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 651859
• Molecular Formular: C18H28N2O2
• Molecular Mass: 304.42712
• Monoisotopic Mass: 304.21507815
• SMILES: c1(C(=O)N(C2CCCCCC2)C(CC)C)c(=O)[nH]c(cc1)C
• Canonical SMILES: CCC(N(C(=O)c1ccc([nH]c1=O)C)C1CCCCCC1)C
• InChI: InChI=1S/C18H28N2O2/c1-4-14(3)20(15-9-7-5-6-8-10-15)18(22)16-12-11-13(2)19-17(16)21/h11-12,14-15H,4-10H2,1-3H3,(H,19,21)
• InChIKey: NZXJKAPUKSIAAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)-N-cycloheptyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-cycloheptyl-6-methyl-2-oxo-N-(sec-butyl)-1H-pyridine-3-carboxamide
• Synonyms: N-(sec-butyl)-N-cycloheptyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.75128
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9863276
• LogD (pH = 7.4): 2.9861605
• Log P: 2.9863317
• Molar Refractivity: 90.8609 cm^3
• Polarizability: 34.35705 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.84
• LOG S: -3.85
• Polar Surface Area: 53.17 Å^2
• Rotatable Bonds: 4