N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 845143
• 分子式: C17H21N5O2
• 平均质量: 327.38094
• 单一同位素质量: 327.16952494
• SMILES: c1(n2c(nc1C)ccc(c2)C)C(=O)N(Cc1nc(no1)CC)CC
• Canonical SMILES: CCN(C(=O)c1c(C)nc2n1cc(C)cc2)Cc1onc(n1)CC
• InChI: InChI=1S/C17H21N5O2/c1-5-13-19-15(24-20-13)10-21(6-2)17(23)16-12(4)18-14-8-7-11(3)9-22(14)16/h7-9H,5-6,10H2,1-4H3
• InChIKey: VKPZKGWFHIJGRV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• 别名: N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.8691388
• LogD (pH = 7.4): 1.9881539
• Log P: 1.9899149
• 摩尔折射率: 92.874 cm^3
• 极化性: 33.523888 Å^3
• 极化表面积: 76.53 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: 5
• 质子供体: 0
• Log P: 1.65
• LOG S: -3.0
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 5