N-ethyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 787043
• 分子式: C17H19N3O2
• 平均质量: 297.35166
• 单一同位素质量: 297.14772686
• SMILES: c1(cn2c(nc(c2)C)cc1)C(=O)N(Cc1oc(cc1)C)CC
• Canonical SMILES: CCN(C(=O)c1ccc2n(c1)cc(n2)C)Cc1ccc(o1)C
• InChI: InChI=1S/C17H19N3O2/c1-4-19(11-15-7-5-13(3)22-15)17(21)14-6-8-16-18-12(2)9-20(16)10-14/h5-10H,4,11H2,1-3H3
• InChIKey: XIATUIDCODHTFQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-ethyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-ethyl-2-methyl-N-[(5-methyl-2-furyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.88103664
• LogD (pH = 7.4): 1.5094668
• Log P: 1.530001
• 摩尔折射率: 86.3015 cm^3
• 极化性: 31.637474 Å^3
• 极化表面积: 50.75 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: 2.01
• LOG S: -3.08
• 极化表面积: 50.75 Å^2
• 可自由旋转的化学键: 4