N-(2,2-diphenylpropyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 568488
• Molecular Formular: C23H24N2O2
• Molecular Mass: 360.44886
• Monoisotopic Mass: 360.18377802
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCC(c1ccccc1)(c1ccccc1)C
• Canonical SMILES: O=C(c1c(C)cc([nH]c1=O)C)NCC(c1ccccc1)(c1ccccc1)C
• InChI: InChI=1S/C23H24N2O2/c1-16-14-17(2)25-22(27)20(16)21(26)24-15-23(3,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-14H,15H2,1-3H3,(H,24,26)(H,25,27)
• InChIKey: UWTLBOUCXDHHBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-diphenylpropyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-(2,2-diphenylpropyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-(2,2-diphenylpropyl)-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.03492
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.356183
• LogD (pH = 7.4): 3.3560953
• Log P: 3.3561845
• Molar Refractivity: 119.7663 cm^3
• Polarizability: 41.398174 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.32
• LOG S: -4.66
• Polar Surface Area: 61.96 Å^2
• Rotatable Bonds: 5