N-butyl-N-methyl-3-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 319428
• 分子式: C19H26N6O2
• 平均质量: 370.44874
• 单一同位素质量: 370.2117241
• SMILES: c1(c(n2c(n1)cccc2)CN(Cc1nonc1C)C)C(=O)N(CCCC)C
• Canonical SMILES: CCCCN(C(=O)c1nc2n(c1CN(Cc1nonc1C)C)cccc2)C
• InChI: InChI=1S/C19H26N6O2/c1-5-6-10-24(4)19(26)18-16(25-11-8-7-9-17(25)20-18)13-23(3)12-15-14(2)21-27-22-15/h7-9,11H,5-6,10,12-13H2,1-4H3
• InChIKey: MHGOGWAWLWIQEM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-butyl-N-methyl-3-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-butyl-N-methyl-3-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-butyl-N-methyl-3-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.77952385
• LogD (pH = 7.4): 1.1474082
• Log P: 1.1548495
• 摩尔折射率: 105.7825 cm^3
• 极化性: 38.875034 Å^3
• 极化表面积: 79.77 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 7
• 质子供体: 0
• Log P: 1.45
• LOG S: -1.41
• 极化表面积: 79.77 Å^2
• 可自由旋转的化学键: 6