2-methoxy-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase编号: 641007
• 分子式: C17H22N4O4
• 平均质量: 346.38098
• 单一同位素质量: 346.1641052
• SMILES: c1(C(=O)N(Cc2nc(no2)CCOC)C)c(nc2c(c1)CCC2)OC
• Canonical SMILES: COCCc1noc(n1)CN(C(=O)c1cc2CCCc2nc1OC)C
• InChI: InChI=1S/C17H22N4O4/c1-21(10-15-19-14(20-25-15)7-8-23-2)17(22)12-9-11-5-4-6-13(11)18-16(12)24-3/h9H,4-8,10H2,1-3H3
• InChIKey: NGKAMRJBBGMLNA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC传统名: 2-methoxy-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• 别名: 2-methoxy-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 1.4829814
• LogD (pH = 7.4): 1.4835076
• Log P: 1.4835143
• 摩尔折射率: 92.3399 cm^3
• 极化性: 34.05637 Å^3
• 极化表面积: 90.58 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 7
• 质子供体: 0
• Log P: 1.05
• LOG S: -2.62
• 极化表面积: 90.58 Å^2
• 可自由旋转的化学键: 7