N-[(1-cyclohexylpiperidin-3-yl)methyl]-5-(methoxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

• ChemBase ID: 361420
• Molecular Formular: C25H35N3O3
• Molecular Mass: 425.5637
• Monoisotopic Mass: 425.267842
• SMILES: c1(C(=O)N(CC2CN(C3CCCCC3)CCC2)Cc2cnccc2)oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C25H35N3O3/c1-30-19-23-11-12-24(31-23)25(29)28(16-20-7-5-13-26-15-20)18-21-8-6-14-27(17-21)22-9-3-2-4-10-22/h5,7,11-13,15,21-22H,2-4,6,8-10,14,16-19H2,1H3
• InChIKey: CGCMNRFEQMRLST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-5-(methoxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-5-(methoxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
• Synonyms: N-[(1-cyclohexyl-3-piperidinyl)methyl]-5-(methoxymethyl)-N-(3-pyridinylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.55254227
• LogD (pH = 7.4): 0.49982554
• Log P: 2.9622977
• Molar Refractivity: 122.4055 cm^3
• Polarizability: 47.10421 Å^3
• Polar Surface Area: 58.81 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: 2.7
• LOG S: -3.4
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7