N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]pyridazine-4-carboxamide

• ChemBase ID: 644091
• Molecular Formular: C23H37N5O
• Molecular Mass: 399.57278
• Monoisotopic Mass: 399.29981083
• SMILES: C(=O)(N(CC1CN(C2CCCC2)CCC1)CCN1CCCCC1)c1cnncc1
• Canonical SMILES: O=C(c1ccnnc1)N(CC1CCCN(C1)C1CCCC1)CCN1CCCCC1
• InChI: InChI=1S/C23H37N5O/c29-23(21-10-11-24-25-17-21)28(16-15-26-12-4-1-5-13-26)19-20-7-6-14-27(18-20)22-8-2-3-9-22/h10-11,17,20,22H,1-9,12-16,18-19H2
• InChIKey: LBHPFENRFBPOSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]pyridazine-4-carboxamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]pyridazine-4-carboxamide
• Synonyms: N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridazine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -4.1047473
• LogD (pH = 7.4): -1.2170539
• Log P: 1.826472
• Molar Refractivity: 119.3808 cm^3
• Polarizability: 45.394413 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.7
• LOG S: -3.56
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 7