N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 460948
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCC1(N(CC)C)CCCCC1
• Canonical SMILES: CCN(C1(CCCCC1)CNC(=O)c1c(C)cc([nH]c1=O)C)C
• InChI: InChI=1S/C18H29N3O2/c1-5-21(4)18(9-7-6-8-10-18)12-19-16(22)15-13(2)11-14(3)20-17(15)23/h11H,5-10,12H2,1-4H3,(H,19,22)(H,20,23)
• InChIKey: ASVVAKMOEMRRLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.057625
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8670868
• LogD (pH = 7.4): -0.76834637
• Log P: 1.3336881
• Molar Refractivity: 94.6111 cm^3
• Polarizability: 35.884163 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.8
• LOG S: -3.07
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5