N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,1-dimethyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide

• ChemBase ID: 495484
• Molecular Formular: C19H25FN4O2
• Molecular Mass: 360.4258032
• Monoisotopic Mass: 360.19615428
• SMILES: C1(=NN(C(=O)CC1)C)C(=O)N(C1CN(Cc2c(F)cccc2)CCC1)C
• Canonical SMILES: O=C1CCC(=NN1C)C(=O)N(C1CCCN(C1)Cc1ccccc1F)C
• InChI: InChI=1S/C19H25FN4O2/c1-22(19(26)17-9-10-18(25)23(2)21-17)15-7-5-11-24(13-15)12-14-6-3-4-8-16(14)20/h3-4,6,8,15H,5,7,9-13H2,1-2H3
• InChIKey: YSQAYTLRVTYRNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,1-dimethyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,1-dimethyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.12706032
• LogD (pH = 7.4): 1.4595151
• Log P: 1.7527642
• Molar Refractivity: 97.7339 cm^3
• Polarizability: 37.16837 Å^3
• Polar Surface Area: 56.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.23
• LOG S: -2.9
• Polar Surface Area: 56.22 Å^2
• Rotatable Bonds: 4