N,6-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 453588
• 分子式: C14H15N5O2
• 平均质量: 285.3012
• 单一同位素质量: 285.12257475
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(Cc1nc(on1)C)C
• Canonical SMILES: Cc1onc(n1)CN(C(=O)c1nc2n(c1)cc(cc2)C)C
• InChI: InChI=1S/C14H15N5O2/c1-9-4-5-13-16-11(7-19(13)6-9)14(20)18(3)8-12-15-10(2)21-17-12/h4-7H,8H2,1-3H3
• InChIKey: PDQZXBILVAEDSN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,6-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N,6-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N,6-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.2929397
• LogD (pH = 7.4): 1.3018044
• Log P: 1.3019186
• 摩尔折射率: 78.6575 cm^3
• 极化性: 28.105032 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.13
• LOG S: -2.7
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 3