N-(6-methoxypyridin-3-yl)-2-(1-methyl-1H-indol-3-yl)acetamide

• ChemBase编号: 225878
• 分子式: C17H17N3O2
• 平均质量: 295.33578
• 单一同位素质量: 295.1320768
• SMILES: c1(cn(c2c1cccc2)C)CC(=O)Nc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)NC(=O)Cc1cn(c2c1cccc2)C
• InChI: InChI=1S/C17H17N3O2/c1-20-11-12(14-5-3-4-6-15(14)20)9-16(21)19-13-7-8-17(22-2)18-10-13/h3-8,10-11H,9H2,1-2H3,(H,19,21)
• InChIKey: WNZHVHLKGUZSQA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(6-methoxypyridin-3-yl)-2-(1-methyl-1H-indol-3-yl)acetamide
• IUPAC传统名: N-(6-methoxypyridin-3-yl)-2-(1-methylindol-3-yl)acetamide

登记号

• PubChem SID: 164281788
• PubChem CID: 48388551

理论计算性质

• Acid pKa: 12.934799
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.5866964
• LogD (pH = 7.4): 2.5868447
• Log P: 2.5868478
• 摩尔折射率: 86.2459 cm^3
• 极化性: 33.392624 Å^3
• 极化表面积: 56.15 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