N-cyclohexyl-1-ethyl-4,6-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 517742
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)N(Cc1ccncc1)C1CCCCC1
• Canonical SMILES: CCn1c(C)cc(c(c1=O)C(=O)N(C1CCCCC1)Cc1ccncc1)C
• InChI: InChI=1S/C22H29N3O2/c1-4-24-17(3)14-16(2)20(21(24)26)22(27)25(19-8-6-5-7-9-19)15-18-10-12-23-13-11-18/h10-14,19H,4-9,15H2,1-3H3
• InChIKey: HFQIJYTUNORTJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-1-ethyl-4,6-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-cyclohexyl-1-ethyl-4,6-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
• Synonyms: N-cyclohexyl-1-ethyl-4,6-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4669044
• LogD (pH = 7.4): 2.5748842
• Log P: 2.5765038
• Molar Refractivity: 108.9515 cm^3
• Polarizability: 41.20866 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.8
• LOG S: -2.97
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 5