N,6-dimethyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 406927
• 分子式: C19H22N4O
• 平均质量: 322.40418
• 单一同位素质量: 322.17936134
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(C(Cc1nccc(c1)C)C)C
• Canonical SMILES: Cc1ccnc(c1)CC(N(C(=O)c1nc2n(c1)cc(cc2)C)C)C
• InChI: InChI=1S/C19H22N4O/c1-13-7-8-20-16(9-13)10-15(3)22(4)19(24)17-12-23-11-14(2)5-6-18(23)21-17/h5-9,11-12,15H,10H2,1-4H3
• InChIKey: LTSKHGHFHUTZIX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,6-dimethyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N,6-dimethyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N,6-dimethyl-N-[1-methyl-2-(4-methyl-2-pyridinyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.5059242
• LogD (pH = 7.4): 2.7087834
• Log P: 2.7120953
• 摩尔折射率: 95.5703 cm^3
• 极化性: 35.71236 Å^3
• 极化表面积: 50.5 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: 0
• Log P: 1.95
• LOG S: -1.92
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 4