N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-(6-methoxypyridin-3-yl)ethanediamide

• ChemBase编号: 223496
• 分子式: C19H20N4O4
• 平均质量: 368.3865
• 单一同位素质量: 368.14845514
• SMILES: C(=O)(C(=O)NCCc1c2c([nH]c1)ccc(c2)OC)Nc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)NC(=O)C(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C19H20N4O4/c1-26-14-4-5-16-15(9-14)12(10-21-16)7-8-20-18(24)19(25)23-13-3-6-17(27-2)22-11-13/h3-6,9-11,21H,7-8H2,1-2H3,(H,20,24)(H,23,25)
• InChIKey: QQHWYPSWGQHUSY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-(6-methoxypyridin-3-yl)ethanediamide
• IUPAC传统名: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-(6-methoxypyridin-3-yl)ethanediamide

登记号

• PubChem SID: 164279406
• PubChem CID: 19589254

理论计算性质

• Acid pKa: 10.724038
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 1.7604804
• LogD (pH = 7.4): 1.7604257
• Log P: 1.7606226
• 摩尔折射率: 100.9719 cm^3
• 极化性: 39.038162 Å^3
• 极化表面积: 105.34 Å^2
• 可自由旋转的化学键: 7
• 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