N-(1H-indol-6-yl)-5-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide

• ChemBase编号: 225058
• 分子式: C15H13N3O3
• 平均质量: 283.28202
• 单一同位素质量: 283.09569129
• SMILES: c1(cc(=O)c(c[nH]1)OC)C(=O)Nc1cc2[nH]ccc2cc1
• Canonical SMILES: COc1c[nH]c(cc1=O)C(=O)Nc1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C15H13N3O3/c1-21-14-8-17-12(7-13(14)19)15(20)18-10-3-2-9-4-5-16-11(9)6-10/h2-8,16H,1H3,(H,17,19)(H,18,20)
• InChIKey: OGUVNCFEOUWFRD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(1H-indol-6-yl)-5-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
• IUPAC传统名: N-(1H-indol-6-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

登记号

• PubChem SID: 164280968
• PubChem CID: 52905660

理论计算性质

• Acid pKa: 6.6639333
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 1.2730633
• LogD (pH = 7.4): 0.5914273
• Log P: 1.3004451
• 摩尔折射率: 81.0041 cm^3
• 极化性: 30.303444 Å^3
• 极化表面积: 83.22 Å^2
• 可自由旋转的化学键: 3
• 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