N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(pyridin-4-ylmethyl)pyridazine-4-carboxamide

• ChemBase ID: 854674
• Molecular Formular: C20H27N5O2
• Molecular Mass: 369.46068
• Monoisotopic Mass: 369.21647513
• SMILES: N(C(=O)c1cnncc1)(Cc1ccncc1)CC1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCC(CC1)CN(C(=O)c1ccnnc1)Cc1ccncc1
• InChI: InChI=1S/C20H27N5O2/c1-27-13-12-24-10-5-18(6-11-24)16-25(15-17-2-7-21-8-3-17)20(26)19-4-9-22-23-14-19/h2-4,7-9,14,18H,5-6,10-13,15-16H2,1H3
• InChIKey: VRYUKYYWJNKQIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(pyridin-4-ylmethyl)pyridazine-4-carboxamide
• IUPAC Traditional name: N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(pyridin-4-ylmethyl)pyridazine-4-carboxamide
• Synonyms: N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(pyridin-4-ylmethyl)pyridazine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -3.194343
• LogD (pH = 7.4): -1.4216373
• Log P: 0.02102792
• Molar Refractivity: 106.4045 cm^3
• Polarizability: 39.981186 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.15
• LOG S: -0.92
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 8