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

• ChemBase ID: 425992
• Molecular Formular: C20H32N4O2
• Molecular Mass: 360.49368
• Monoisotopic Mass: 360.25252628
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(NC(CCC)C)cc1
• Canonical SMILES: CCCC(Nc1ccc(cn1)C(=O)N1CCC(CC1)N1CCOCC1)C
• InChI: InChI=1S/C20H32N4O2/c1-3-4-16(2)22-19-6-5-17(15-21-19)20(25)24-9-7-18(8-10-24)23-11-13-26-14-12-23/h5-6,15-16,18H,3-4,7-14H2,1-2H3,(H,21,22)
• InChIKey: RYFWAHSYXGAUDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(morpholin-4-yl)piperidine-1-carbonyl]-N-(pentan-2-yl)pyridin-2-amine
• IUPAC Traditional name: 5-[4-(morpholin-4-yl)piperidine-1-carbonyl]-N-(pentan-2-yl)pyridin-2-amine
• Synonyms: N-(1-methylbutyl)-5-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.33564588
• LogD (pH = 7.4): 1.3657503
• Log P: 1.6695812
• Molar Refractivity: 106.0982 cm^3
• Polarizability: 39.946327 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.93
• LOG S: -3.48
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 6