N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide

• ChemBase ID: 853222
• Molecular Formular: C24H33N3O2
• Molecular Mass: 395.53772
• Monoisotopic Mass: 395.25727731
• SMILES: c1(C(=O)N(CC2CN(C3CCCCC3)CCC2)Cc2cnccc2)c(occ1)C
• Canonical SMILES: Cc1occc1C(=O)N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C24H33N3O2/c1-19-23(11-14-29-19)24(28)27(16-20-7-5-12-25-15-20)18-21-8-6-13-26(17-21)22-9-3-2-4-10-22/h5,7,11-12,14-15,21-22H,2-4,6,8-10,13,16-18H2,1H3
• InChIKey: WQCDWBKBEGPIJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide
• IUPAC Traditional name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide
• Synonyms: N-[(1-cyclohexyl-3-piperidinyl)methyl]-2-methyl-N-(3-pyridinylmethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.07443323
• LogD (pH = 7.4): 0.93521374
• Log P: 3.44608
• Molar Refractivity: 116.2331 cm^3
• Polarizability: 44.495773 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.42
• LOG S: -3.76
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 6