N-[2-(1-methanesulfonylpiperidin-2-yl)ethyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide

• ChemBase ID: 851448
• Molecular Formular: C17H27N3O4S
• Molecular Mass: 369.47898
• Monoisotopic Mass: 369.17222736
• SMILES: S(=O)(=O)(N1C(CCNC(=O)CCn2c(=O)cccc2C)CCCC1)C
• Canonical SMILES: O=C(CCn1c(C)cccc1=O)NCCC1CCCCN1S(=O)(=O)C
• InChI: InChI=1S/C17H27N3O4S/c1-14-6-5-8-17(22)19(14)13-10-16(21)18-11-9-15-7-3-4-12-20(15)25(2,23)24/h5-6,8,15H,3-4,7,9-13H2,1-2H3,(H,18,21)
• InChIKey: QJHOQYLEXSGIQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-methanesulfonylpiperidin-2-yl)ethyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide
• IUPAC Traditional name: N-[2-(1-methanesulfonylpiperidin-2-yl)ethyl]-3-(2-methyl-6-oxopyridin-1-yl)propanamide
• Synonyms: 3-(6-methyl-2-oxopyridin-1(2H)-yl)-N-{2-[1-(methylsulfonyl)piperidin-2-yl]ethyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.540584
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.71498924
• LogD (pH = 7.4): -0.71498924
• Log P: -0.7149892
• Molar Refractivity: 98.8329 cm^3
• Polarizability: 37.883564 Å^3
• Polar Surface Area: 86.79 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: 0.31
• LOG S: -3.47
• Polar Surface Area: 88.48 Å^2
• Rotatable Bonds: 6