1-ethyl-N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase编号: 593109
• 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)CC)C(=O)N(Cc1c(F)cccc1)CCOC
• Canonical SMILES: COCCN(C(=O)c1c(C)cc(n(c1=O)CC)C)Cc1ccccc1F
• InChI: InChI=1S/C20H25FN2O3/c1-5-23-15(3)12-14(2)18(20(23)25)19(24)22(10-11-26-4)13-16-8-6-7-9-17(16)21/h6-9,12H,5,10-11,13H2,1-4H3
• InChIKey: AHQXFVRRLONYBF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethyl-N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC传统名: 1-ethyl-N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
• 别名: 1-ethyl-N-(2-fluorobenzyl)-N-(2-methoxyethyl)-4,6-dimethyl-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): 2.0906317
• LogD (pH = 7.4): 2.090632
• Log P: 2.090632
• 摩尔折射率: 101.3541 cm^3
• 极化性: 37.67866 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: 2.31
• LOG S: -3.8
• 极化表面积: 51.54 Å^2
• 可自由旋转的化学键: 7