N,6-dimethyl-N-[3-(oxolan-2-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 385655
• 分子式: C17H23N3O2
• 平均质量: 301.38342
• 单一同位素质量: 301.17902699
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(CCCC1OCCC1)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N(CCCC1CCCO1)C
• InChI: InChI=1S/C17H23N3O2/c1-13-7-8-16-18-15(12-20(16)11-13)17(21)19(2)9-3-5-14-6-4-10-22-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3
• InChIKey: IHIJRMBBNZIGFS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,6-dimethyl-N-[3-(oxolan-2-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N,6-dimethyl-N-[3-(oxolan-2-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N,6-dimethyl-N-[3-(tetrahydro-2-furanyl)propyl]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): 1.9437997
• LogD (pH = 7.4): 1.9526114
• Log P: 1.952725
• 摩尔折射率: 87.2421 cm^3
• 极化性: 32.589893 Å^3
• 极化表面积: 46.84 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: 1.2
• LOG S: -2.42
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 5