N-[3-(cyclohexyloxy)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 485481
• Molecular Formular: C17H26N2O4
• Molecular Mass: 322.39934
• Monoisotopic Mass: 322.18925732
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCC(COC1CCCCC1)O
• Canonical SMILES: OC(COC1CCCCC1)CNC(=O)c1c(C)cc([nH]c1=O)C
• InChI: InChI=1S/C17H26N2O4/c1-11-8-12(2)19-17(22)15(11)16(21)18-9-13(20)10-23-14-6-4-3-5-7-14/h8,13-14,20H,3-7,9-10H2,1-2H3,(H,18,21)(H,19,22)
• InChIKey: HYGPKEMXOLMTCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.034511
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.5882312
• LogD (pH = 7.4): 0.5881432
• Log P: 0.5882325
• Molar Refractivity: 88.9598 cm^3
• Polarizability: 33.8591 Å^3
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.12
• LOG S: -2.51
• Polar Surface Area: 91.42 Å^2
• Rotatable Bonds: 6