N-methyl-N-{1-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2,5,6-tetrahydropyridin-3-yl]propyl}acetamide

• ChemBase编号: 751905
• 分子式: C20H28N4O
• 平均质量: 340.46252
• 单一同位素质量: 340.22631154
• SMILES: n12c(nc(c1)CN1CC(=CCC1)C(N(C(=O)C)C)CC)ccc(c2)C
• Canonical SMILES: CCC(N(C(=O)C)C)C1=CCCN(C1)Cc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C20H28N4O/c1-5-19(22(4)16(3)25)17-7-6-10-23(12-17)13-18-14-24-11-15(2)8-9-20(24)21-18/h7-9,11,14,19H,5-6,10,12-13H2,1-4H3
• InChIKey: LNQNIQARVDXWBQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-{1-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2,5,6-tetrahydropyridin-3-yl]propyl}acetamide
• IUPAC传统名: N-methyl-N-{1-[1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-5,6-dihydro-2H-pyridin-3-yl]propyl}acetamide
• 别名: N-methyl-N-(1-{1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}propyl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.11101413
• LogD (pH = 7.4): 1.4585156
• Log P: 1.7775198
• 摩尔折射率: 103.1002 cm^3
• 极化性: 38.913204 Å^3
• 极化表面积: 40.85 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: 1.78
• LOG S: -3.2
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 5