N-[(1-cyclohexylpiperidin-3-yl)methyl]-3-(1H-pyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide

• ChemBase ID: 766318
• Molecular Formular: C24H35N5O
• Molecular Mass: 409.5676
• Monoisotopic Mass: 409.28416077
• SMILES: N1(CC(CN(C(=O)CCn2nccc2)Cc2cnccc2)CCC1)C1CCCCC1
• Canonical SMILES: O=C(N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1)CCn1cccn1
• InChI: InChI=1S/C24H35N5O/c30-24(11-16-29-15-6-13-26-29)28(18-21-7-4-12-25-17-21)20-22-8-5-14-27(19-22)23-9-2-1-3-10-23/h4,6-7,12-13,15,17,22-23H,1-3,5,8-11,14,16,18-20H2
• InChIKey: ONNHZAKHNMOQMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-3-(1H-pyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
• IUPAC Traditional name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-3-(pyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
• Synonyms: N-[(1-cyclohexyl-3-piperidinyl)methyl]-3-(1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.9350773
• LogD (pH = 7.4): 0.023943149
• Log P: 2.5915463
• Molar Refractivity: 131.0012 cm^3
• Polarizability: 46.57323 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.56
• LOG S: -3.2
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 8