N-[1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-yl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide

• ChemBase ID: 589928
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: n1(c(=O)cccc1C)CCC(=O)NC(Cn1cncc1)C(C)(C)C
• Canonical SMILES: O=C(NC(C(C)(C)C)Cn1cncc1)CCn1c(C)cccc1=O
• InChI: InChI=1S/C18H26N4O2/c1-14-6-5-7-17(24)22(14)10-8-16(23)20-15(18(2,3)4)12-21-11-9-19-13-21/h5-7,9,11,13,15H,8,10,12H2,1-4H3,(H,20,23)
• InChIKey: DCUKJKOLESOFOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-yl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide
• IUPAC Traditional name: N-[1-(imidazol-1-yl)-3,3-dimethylbutan-2-yl]-3-(2-methyl-6-oxopyridin-1-yl)propanamide
• Synonyms: N-[1-(1H-imidazol-1-ylmethyl)-2,2-dimethylpropyl]-3-(6-methyl-2-oxopyridin-1(2H)-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.605233
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.631891
• LogD (pH = 7.4): 1.0962621
• Log P: 1.1633382
• Molar Refractivity: 96.017 cm^3
• Polarizability: 35.974228 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.9
• LOG S: -2.38
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 7