N-ethyl-N-[2-(piperidin-1-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 579389
• 分子式: C17H24N4O
• 平均质量: 300.39866
• 单一同位素质量: 300.19501141
• SMILES: c1(c2n(nc1)cccc2)C(=O)N(CCN1CCCCC1)CC
• Canonical SMILES: CCN(C(=O)c1cnn2c1cccc2)CCN1CCCCC1
• InChI: InChI=1S/C17H24N4O/c1-2-20(13-12-19-9-5-3-6-10-19)17(22)15-14-18-21-11-7-4-8-16(15)21/h4,7-8,11,14H,2-3,5-6,9-10,12-13H2,1H3
• InChIKey: GCVWVNRVCNYQPA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-[2-(piperidin-1-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-ethyl-N-[2-(piperidin-1-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-ethyl-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.7781382
• LogD (pH = 7.4): 0.9851254
• Log P: 2.026994
• 摩尔折射率: 99.7594 cm^3
• 极化性: 34.163242 Å^3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.84
• LOG S: -2.96
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 5