N-tert-butyl-2-[(6-ethyl-2-oxo-1,2-dihydropyridin-4-yl)formamido]acetamide

• ChemBase ID: 841109
• Molecular Formular: C14H21N3O3
• Molecular Mass: 279.33484
• Monoisotopic Mass: 279.15829155
• SMILES: c1(cc(=O)[nH]c(c1)CC)C(=O)NCC(=O)NC(C)(C)C
• Canonical SMILES: CCc1cc(cc(=O)[nH]1)C(=O)NCC(=O)NC(C)(C)C
• InChI: InChI=1S/C14H21N3O3/c1-5-10-6-9(7-11(18)16-10)13(20)15-8-12(19)17-14(2,3)4/h6-7H,5,8H2,1-4H3,(H,15,20)(H,16,18)(H,17,19)
• InChIKey: CJECDRXHMJZYBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-2-[(6-ethyl-2-oxo-1,2-dihydropyridin-4-yl)formamido]acetamide
• IUPAC Traditional name: N-tert-butyl-2-[(2-ethyl-6-oxo-1H-pyridin-4-yl)formamido]acetamide
• Synonyms: N-[2-(tert-butylamino)-2-oxoethyl]-6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.936645
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.458081
• LogD (pH = 7.4): -0.45819107
• Log P: -0.45807925
• Molar Refractivity: 77.7156 cm^3
• Polarizability: 28.962612 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: -0.5
• LOG S: -2.12
• Polar Surface Area: 91.06 Å^2
• Rotatable Bonds: 5