N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 669514
• 分子式: C20H25FN2O3
• 平均质量: 360.4225032
• 单一同位素质量: 360.18492089
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)N(Cc1ccc(F)cc1)CCCOC
• Canonical SMILES: COCCCN(C(=O)c1c(C)cc(n(c1=O)C)C)Cc1ccc(cc1)F
• InChI: InChI=1S/C20H25FN2O3/c1-14-12-15(2)22(3)19(24)18(14)20(25)23(10-5-11-26-4)13-16-6-8-17(21)9-7-16/h6-9,12H,5,10-11,13H2,1-4H3
• InChIKey: FBJDUCUUORURLG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
• 别名: N-(4-fluorobenzyl)-N-(3-methoxypropyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.7937832
• LogD (pH = 7.4): 1.7937838
• Log P: 1.7937838
• 摩尔折射率: 101.4709 cm^3
• 极化性: 37.678806 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.98
• LOG S: -3.52
• 极化表面积: 51.54 Å^2
• 可自由旋转的化学键: 7