N-methyl-N-(4-methyl-1-phenylpentyl)-6-oxo-1,6-dihydropyridine-3-carboxamide

• ChemBase ID: 775024
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: C(=O)(c1c[nH]c(=O)cc1)N(C(CCC(C)C)c1ccccc1)C
• Canonical SMILES: CC(CCC(N(C(=O)c1ccc(=O)[nH]c1)C)c1ccccc1)C
• InChI: InChI=1S/C19H24N2O2/c1-14(2)9-11-17(15-7-5-4-6-8-15)21(3)19(23)16-10-12-18(22)20-13-16/h4-8,10,12-14,17H,9,11H2,1-3H3,(H,20,22)
• InChIKey: NUVWYALNGBDRIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(4-methyl-1-phenylpentyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-methyl-N-(4-methyl-1-phenylpentyl)-6-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-methyl-N-(4-methyl-1-phenylpentyl)-6-oxo-1,6-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.587073
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9320483
• LogD (pH = 7.4): 2.9318023
• Log P: 2.9320521
• Molar Refractivity: 92.9661 cm^3
• Polarizability: 35.473385 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.87
• LOG S: -3.93
• Polar Surface Area: 53.17 Å^2
• Rotatable Bonds: 6