N-(2-methoxyethyl)-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(pyridin-2-ylmethyl)propanamide

• ChemBase编号: 602847
• 分子式: C18H23N3O3
• 平均质量: 329.39352
• 单一同位素质量: 329.17394161
• SMILES: n1(c(=O)cccc1C)CCC(=O)N(Cc1ncccc1)CCOC
• Canonical SMILES: COCCN(C(=O)CCn1c(C)cccc1=O)Cc1ccccn1
• InChI: InChI=1S/C18H23N3O3/c1-15-6-5-8-18(23)21(15)11-9-17(22)20(12-13-24-2)14-16-7-3-4-10-19-16/h3-8,10H,9,11-14H2,1-2H3
• InChIKey: XOLFMWMYTOINGZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
• IUPAC传统名: N-(2-methoxyethyl)-3-(2-methyl-6-oxopyridin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
• 别名: N-(2-methoxyethyl)-3-(6-methyl-2-oxopyridin-1(2H)-yl)-N-(pyridin-2-ylmethyl)propanamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.3216283
• LogD (pH = 7.4): 0.3390858
• Log P: 0.3393133
• 摩尔折射率: 94.1377 cm^3
• 极化性: 35.27209 Å^3
• 极化表面积: 62.74 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.35
• LOG S: -1.91
• 极化表面积: 64.43 Å^2
• 可自由旋转的化学键: 8