N-benzyl-N-(cyclobutylmethyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 774297
• Molecular Formular: C21H26N2O2
• Molecular Mass: 338.44334
• Monoisotopic Mass: 338.19942808
• SMILES: c1(c(=O)n(c(cc1C)C)C)C(=O)N(Cc1ccccc1)CC1CCC1
• Canonical SMILES: Cc1cc(C)n(c(=O)c1C(=O)N(Cc1ccccc1)CC1CCC1)C
• InChI: InChI=1S/C21H26N2O2/c1-15-12-16(2)22(3)20(24)19(15)21(25)23(14-18-10-7-11-18)13-17-8-5-4-6-9-17/h4-6,8-9,12,18H,7,10-11,13-14H2,1-3H3
• InChIKey: HUNATKRPKMGJSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-(cyclobutylmethyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-benzyl-N-(cyclobutylmethyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
• Synonyms: N-benzyl-N-(cyclobutylmethyl)-1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8632426
• LogD (pH = 7.4): 2.8632436
• Log P: 2.8632436
• Molar Refractivity: 101.8886 cm^3
• Polarizability: 38.428905 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.16
• LOG S: -4.37
• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 5