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

• ChemBase编号: 568488
• 分子式: C23H24N2O2
• 平均质量: 360.44886
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: N-(2,2-diphenylpropyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: N-(2,2-diphenylpropyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• 别名: N-(2,2-diphenylpropyl)-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide

理论计算性质

JChem

• Acid pKa: 11.03492
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 3.356183
• LogD (pH = 7.4): 3.3560953
• Log P: 3.3561845
• 摩尔折射率: 119.7663 cm^3
• 极化性: 41.398174 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 2
• Log P: 3.32
• LOG S: -4.66
• 极化表面积: 61.96 Å^2
• 可自由旋转的化学键: 5