1-cyclohexyl-N3-(2-methylpropyl)-N5-[3-(morpholin-4-yl)propyl]-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide

• ChemBase ID: 590461
• Molecular Formular: C24H38N4O4
• Molecular Mass: 446.58292
• Monoisotopic Mass: 446.28930572
• SMILES: c1(c(=O)c(cn(c1)C1CCCCC1)C(=O)NCCCN1CCOCC1)C(=O)NCC(C)C
• Canonical SMILES: CC(CNC(=O)c1cn(cc(c1=O)C(=O)NCCCN1CCOCC1)C1CCCCC1)C
• InChI: InChI=1S/C24H38N4O4/c1-18(2)15-26-24(31)21-17-28(19-7-4-3-5-8-19)16-20(22(21)29)23(30)25-9-6-10-27-11-13-32-14-12-27/h16-19H,3-15H2,1-2H3,(H,25,30)(H,26,31)
• InChIKey: MJCQJZKSXRTEFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N3-(2-methylpropyl)-N5-[3-(morpholin-4-yl)propyl]-4-oxo-1,4-dihydropyridine-3,5-dicarboxamide
• IUPAC Traditional name: 1-cyclohexyl-N3-(2-methylpropyl)-N5-[3-(morpholin-4-yl)propyl]-4-oxopyridine-3,5-dicarboxamide
• Synonyms: 1-cyclohexyl-N-isobutyl-N'-[3-(4-morpholinyl)propyl]-4-oxo-1,4-dihydro-3,5-pyridinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.165379
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.6725193
• LogD (pH = 7.4): 1.532337
• Log P: 1.5684302
• Molar Refractivity: 125.2149 cm^3
• Polarizability: 48.125183 Å^3
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.43
• LOG S: -4.65
• Polar Surface Area: 92.67 Å^2
• Rotatable Bonds: 8