N-cyclopentyl-2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]butanamide

• ChemBase ID: 864642
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: n1(ncc(cc1=O)N(C)C)C(C(=O)NC1CCCC1)CC
• Canonical SMILES: CCC(n1ncc(cc1=O)N(C)C)C(=O)NC1CCCC1
• InChI: InChI=1S/C15H24N4O2/c1-4-13(15(21)17-11-7-5-6-8-11)19-14(20)9-12(10-16-19)18(2)3/h9-11,13H,4-8H2,1-3H3,(H,17,21)
• InChIKey: YSTPXSLYJQHZSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]butanamide
• IUPAC Traditional name: N-cyclopentyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide
• Synonyms: N-cyclopentyl-2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.388782
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.94303143
• LogD (pH = 7.4): 0.94303167
• Log P: 0.94303167
• Molar Refractivity: 82.7864 cm^3
• Polarizability: 30.959517 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: 0.84
• LOG S: -2.05
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5