N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-4-methoxy-3-(morpholin-4-yl)benzamide

• ChemBase编号: 569193
• 分子式: C19H23N3O4
• 平均质量: 357.40362
• 单一同位素质量: 357.16885623
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)c1cc(N2CCOCC2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1N1CCOCC1)C(=O)Nn1c(C)cc(cc1=O)C
• InChI: InChI=1S/C19H23N3O4/c1-13-10-14(2)22(18(23)11-13)20-19(24)15-4-5-17(25-3)16(12-15)21-6-8-26-9-7-21/h4-5,10-12H,6-9H2,1-3H3,(H,20,24)
• InChIKey: MBOLMPYNPAOCPE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-4-methoxy-3-(morpholin-4-yl)benzamide
• IUPAC传统名: N-(2,4-dimethyl-6-oxopyridin-1-yl)-4-methoxy-3-(morpholin-4-yl)benzamide
• 别名: N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)-4-methoxy-3-morpholin-4-ylbenzamide

理论计算性质

JChem

• Acid pKa: 13.860886
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.458893
• LogD (pH = 7.4): 1.458893
• Log P: 1.4588931
• 摩尔折射率: 101.6491 cm^3
• 极化性: 37.063972 Å^3
• 极化表面积: 71.11 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 1.35
• LOG S: -2.96
• 极化表面积: 72.8 Å^2
• 可自由旋转的化学键: 4