N-benzyl-2-[6-oxo-4-(piperidin-1-yl)-1,6-dihydropyridazin-1-yl]propanamide

• ChemBase ID: 544660
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1(ncc(cc1=O)N1CCCCC1)C(C(=O)NCc1ccccc1)C
• Canonical SMILES: O=C(C(n1ncc(cc1=O)N1CCCCC1)C)NCc1ccccc1
• InChI: InChI=1S/C19H24N4O2/c1-15(19(25)20-13-16-8-4-2-5-9-16)23-18(24)12-17(14-21-23)22-10-6-3-7-11-22/h2,4-5,8-9,12,14-15H,3,6-7,10-11,13H2,1H3,(H,20,25)
• InChIKey: JFZOUUYGMBFLAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-[6-oxo-4-(piperidin-1-yl)-1,6-dihydropyridazin-1-yl]propanamide
• IUPAC Traditional name: N-benzyl-2-[6-oxo-4-(piperidin-1-yl)pyridazin-1-yl]propanamide
• Synonyms: N-benzyl-2-[6-oxo-4-(1-piperidinyl)-1(6H)-pyridazinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.210606
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6406465
• LogD (pH = 7.4): 1.6406467
• Log P: 1.6406467
• Molar Refractivity: 98.6038 cm^3
• Polarizability: 36.85009 Å^3
• Polar Surface Area: 65.01 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: 1.47
• LOG S: -2.94
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5