N-[3-(cyclopentyloxy)propyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 769872
• 分子式: C18H25N3O2
• 平均质量: 315.41
• 单一同位素质量: 315.19467706
• SMILES: n12c(c(nc1ccc(c2)C)C)C(=O)NCCCOC1CCCC1
• Canonical SMILES: O=C(c1c(C)nc2n1cc(C)cc2)NCCCOC1CCCC1
• InChI: InChI=1S/C18H25N3O2/c1-13-8-9-16-20-14(2)17(21(16)12-13)18(22)19-10-5-11-23-15-6-3-4-7-15/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,19,22)
• InChIKey: BORQCGVUBSDOFA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(cyclopentyloxy)propyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: N-[3-(cyclopentyloxy)propyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• 别名: N-[3-(cyclopentyloxy)propyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• Acid pKa: 16.01563
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.6413219
• LogD (pH = 7.4): 1.7645066
• Log P: 1.7663445
• 摩尔折射率: 91.7438 cm^3
• 极化性: 34.352715 Å^3
• 极化表面积: 55.63 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 3.05
• LOG S: -4.11
• 极化表面积: 55.63 Å^2
• 可自由旋转的化学键: 6