N-[cyclopropyl(4-methylpyridin-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 455972
• 分子式: C18H18N4O
• 平均质量: 306.36172
• 单一同位素质量: 306.14806122
• SMILES: c1(nc2n(c1)cccc2)C(=O)NC(C1CC1)c1nccc(c1)C
• Canonical SMILES: Cc1ccnc(c1)C(C1CC1)NC(=O)c1nc2n(c1)cccc2
• InChI: InChI=1S/C18H18N4O/c1-12-7-8-19-14(10-12)17(13-5-6-13)21-18(23)15-11-22-9-3-2-4-16(22)20-15/h2-4,7-11,13,17H,5-6H2,1H3,(H,21,23)
• InChIKey: YZBJGZDBGQYVBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• Acid pKa: 14.61247
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.233529
• LogD (pH = 7.4): 2.3128364
• Log P: 2.3139436
• 摩尔折射率: 88.2015 cm^3
• 极化性: 33.21933 Å^3
• 极化表面积: 59.29 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 2.17
• LOG S: -1.99
• 极化表面积: 59.29 Å^2
• 可自由旋转的化学键: 4