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

• ChemBase编号: 226113
• 分子式: C19H21N3O3
• 平均质量: 339.38834
• 单一同位素质量: 339.15829155
• SMILES: c1(cn(c(cc1=O)C)C)OCC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(COc1cn(C)c(cc1=O)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H21N3O3/c1-13-9-17(23)18(11-22(13)2)25-12-19(24)20-8-7-14-10-21-16-6-4-3-5-15(14)16/h3-6,9-11,21H,7-8,12H2,1-2H3,(H,20,24)
• InChIKey: NWQYVIIAFRBHJS-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-[2-(1H-indol-3-yl)ethyl]acetamide
• IUPAC传统名: 2-[(1,6-dimethyl-4-oxopyridin-3-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]acetamide

登记号

• PubChem SID: 164282023
• PubChem CID: 71692090

理论计算性质

• Acid pKa: 15.311079
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.7314879
• LogD (pH = 7.4): 1.7314883
• Log P: 1.7314885
• 摩尔折射率: 98.7064 cm^3
• 极化性: 37.681908 Å^3
• 极化表面积: 74.43 Å^2
• 可自由旋转的化学键: 6
• 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