N-(2-hydroxypyridin-3-yl)-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide

• ChemBase ID: 410936
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: N1(C(=O)Nc2c(nccc2)O)CC(N2C(C)CCCC2)C1
• Canonical SMILES: O=C(N1CC(C1)N1CCCCC1C)Nc1cccnc1O
• InChI: InChI=1S/C15H22N4O2/c1-11-5-2-3-8-19(11)12-9-18(10-12)15(21)17-13-6-4-7-16-14(13)20/h4,6-7,11-12H,2-3,5,8-10H2,1H3,(H,16,20)(H,17,21)
• InChIKey: WUDNKSJXBLHZMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxypyridin-3-yl)-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
• IUPAC Traditional name: N-(2-hydroxypyridin-3-yl)-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
• Synonyms: N-(2-hydroxypyridin-3-yl)-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.435662
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8513718
• LogD (pH = 7.4): 0.90679455
• Log P: 1.5718104
• Molar Refractivity: 81.8097 cm^3
• Polarizability: 30.869804 Å^3
• Polar Surface Area: 68.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.26
• LOG S: -2.85
• Polar Surface Area: 68.7 Å^2
• Rotatable Bonds: 2