5-[2-(4-methylpentyl)morpholine-4-carbonyl]pyridin-2-ol

• ChemBase ID: 468152
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: N1(C(=O)c2cnc(cc2)O)CC(OCC1)CCCC(C)C
• Canonical SMILES: CC(CCCC1OCCN(C1)C(=O)c1ccc(nc1)O)C
• InChI: InChI=1S/C16H24N2O3/c1-12(2)4-3-5-14-11-18(8-9-21-14)16(20)13-6-7-15(19)17-10-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,17,19)
• InChIKey: QFTZUHRRTZPADY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(4-methylpentyl)morpholine-4-carbonyl]pyridin-2-ol
• IUPAC Traditional name: 5-[2-(4-methylpentyl)morpholine-4-carbonyl]pyridin-2-ol
• Synonyms: 5-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-2-pyridinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.272812
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6857636
• LogD (pH = 7.4): 2.6852057
• Log P: 2.68578
• Molar Refractivity: 81.4362 cm^3
• Polarizability: 31.263077 Å^3
• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.07
• LOG S: -3.77
• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 4