2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]-N-(1-methyl-1H-indol-4-yl)acetamide

• ChemBase编号: 226128
• 分子式: C18H19N3O3
• 平均质量: 325.36176
• 单一同位素质量: 325.14264148
• SMILES: c12ccn(c1cccc2NC(=O)COc1cn(c(cc1=O)C)C)C
• Canonical SMILES: O=C(Nc1cccc2c1ccn2C)COc1cn(C)c(cc1=O)C
• InChI: InChI=1S/C18H19N3O3/c1-12-9-16(22)17(10-21(12)3)24-11-18(23)19-14-5-4-6-15-13(14)7-8-20(15)2/h4-10H,11H2,1-3H3,(H,19,23)
• InChIKey: GZAYKBJARIRMIU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]-N-(1-methyl-1H-indol-4-yl)acetamide
• IUPAC传统名: 2-[(1,6-dimethyl-4-oxopyridin-3-yl)oxy]-N-(1-methylindol-4-yl)acetamide

登记号

• PubChem SID: 164282038
• PubChem CID: 71692101

理论计算性质

• Acid pKa: 12.134668
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.959598
• LogD (pH = 7.4): 1.9595909
• Log P: 1.9595987
• 摩尔折射率: 95.7939 cm^3
• 极化性: 35.74985 Å^3
• 极化表面积: 63.57 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds