N-[(2-methoxyphenyl)methyl]-1-methyl-N-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyridine-3-carboxamide

• ChemBase编号: 582841
• 分子式: C23H24N2O3
• 平均质量: 376.44826
• 单一同位素质量: 376.17869264
• SMILES: c1(C(=O)N(Cc2c(OC)cccc2)Cc2cc(ccc2)C)cn(c(=O)cc1)C
• Canonical SMILES: COc1ccccc1CN(C(=O)c1ccc(=O)n(c1)C)Cc1cccc(c1)C
• InChI: InChI=1S/C23H24N2O3/c1-17-7-6-8-18(13-17)14-25(16-19-9-4-5-10-21(19)28-3)23(27)20-11-12-22(26)24(2)15-20/h4-13,15H,14,16H2,1-3H3
• InChIKey: WEBAGEVFSRZXDE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2-methoxyphenyl)methyl]-1-methyl-N-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyridine-3-carboxamide
• IUPAC传统名: N-[(2-methoxyphenyl)methyl]-1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
• 别名: N-(2-methoxybenzyl)-1-methyl-N-(3-methylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.120697
• LogD (pH = 7.4): 3.1206977
• Log P: 3.1206977
• 摩尔折射率: 111.2864 cm^3
• 极化性: 41.97974 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.09
• LOG S: -4.58
• 极化表面积: 51.54 Å^2
• 可自由旋转的化学键: 6