N-cyclobutyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase编号: 505079
• 分子式: C19H28N4O2
• 平均质量: 344.45122
• 单一同位素质量: 344.22122616
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(NC2CCC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)NC1CCC1)N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C19H28N4O2/c24-19(15-4-5-18(20-14-15)21-16-2-1-3-16)23-8-6-17(7-9-23)22-10-12-25-13-11-22/h4-5,14,16-17H,1-3,6-13H2,(H,20,21)
• InChIKey: CAMYROOGFZNSBS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclobutyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC传统名: N-cyclobutyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-amine
• 别名: N-cyclobutyl-5-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]pyridin-2-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -1.1653719
• LogD (pH = 7.4): 0.5354318
• Log P: 0.8392404
• 摩尔折射率: 99.618 cm^3
• 极化性: 37.381443 Å^3
• 极化表面积: 57.7 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: 4
• 质子供体: 1
• Log P: 0.92
• LOG S: -2.5
• 极化表面积: 57.7 Å^2
• 可自由旋转的化学键: 4