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

• ChemBase ID: 513533
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: n1n(ccc1C)CCC(=O)NCCCn1c(=O)cccc1
• Canonical SMILES: O=C(CCn1ccc(n1)C)NCCCn1ccccc1=O
• InChI: InChI=1S/C15H20N4O2/c1-13-6-11-19(17-13)12-7-14(20)16-8-4-10-18-9-3-2-5-15(18)21/h2-3,5-6,9,11H,4,7-8,10,12H2,1H3,(H,16,20)
• InChIKey: ZBFNGUVRKWTBQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methyl-1H-pyrazol-1-yl)-N-[3-(2-oxo-1,2-dihydropyridin-1-yl)propyl]propanamide
• IUPAC Traditional name: 3-(3-methylpyrazol-1-yl)-N-[3-(2-oxopyridin-1-yl)propyl]propanamide
• Synonyms: 3-(3-methyl-1H-pyrazol-1-yl)-N-[3-(2-oxopyridin-1(2H)-yl)propyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.5994005
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.20789641
• LogD (pH = 7.4): -0.20683524
• Log P: -0.2068217
• Molar Refractivity: 92.8942 cm^3
• Polarizability: 30.37541 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: -0.25
• LOG S: -2.4
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 7