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

• ChemBase ID: 533751
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: n1(c(ncc1)C(C)C)C(C(=O)NCCCn1c(=O)cccc1C)C
• Canonical SMILES: O=C(C(n1ccnc1C(C)C)C)NCCCn1c(C)cccc1=O
• InChI: InChI=1S/C18H26N4O2/c1-13(2)17-19-10-12-22(17)15(4)18(24)20-9-6-11-21-14(3)7-5-8-16(21)23/h5,7-8,10,12-13,15H,6,9,11H2,1-4H3,(H,20,24)
• InChIKey: UTKYLYMOXIQPEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propyl]-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: 2-(2-isopropylimidazol-1-yl)-N-[3-(2-methyl-6-oxopyridin-1-yl)propyl]propanamide
• Synonyms: 2-(2-isopropyl-1H-imidazol-1-yl)-N-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.463267
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.28886455
• LogD (pH = 7.4): 1.1069398
• Log P: 1.2395651
• Molar Refractivity: 96.5065 cm^3
• Polarizability: 35.895958 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: 0.64
• LOG S: -2.16
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 7