N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 506317
• Molecular Formular: C16H27N3O2
• Molecular Mass: 293.40448
• Monoisotopic Mass: 293.21032712
• SMILES: c1(c(=O)n(c(c(c1)C)C)C)C(=O)NCC(CN(C)C)(C)C
• Canonical SMILES: CN(CC(CNC(=O)c1cc(C)c(n(c1=O)C)C)(C)C)C
• InChI: InChI=1S/C16H27N3O2/c1-11-8-13(15(21)19(7)12(11)2)14(20)17-9-16(3,4)10-18(5)6/h8H,9-10H2,1-7H3,(H,17,20)
• InChIKey: ZHRVMVUVXWNEEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
• Synonyms: N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.696863
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.590731
• LogD (pH = 7.4): -1.1731592
• Log P: 0.7402279
• Molar Refractivity: 87.4801 cm^3
• Polarizability: 32.929546 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.81
• LOG S: -2.03
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 5