1-cyclohexyl-3-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)urea

• ChemBase ID: 719624
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(c(CNC(=O)NC2CCCCC2)cccn1)Oc1cnc(cc1)C
• Canonical SMILES: O=C(NC1CCCCC1)NCc1cccnc1Oc1ccc(nc1)C
• InChI: InChI=1S/C19H24N4O2/c1-14-9-10-17(13-21-14)25-18-15(6-5-11-20-18)12-22-19(24)23-16-7-3-2-4-8-16/h5-6,9-11,13,16H,2-4,7-8,12H2,1H3,(H2,22,23,24)
• InChIKey: ZDFISIDJIAXJHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-3-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)urea
• IUPAC Traditional name: 1-cyclohexyl-3-({2-[(6-methylpyridin-3-yl)oxy]pyridin-3-yl}methyl)urea
• Synonyms: N-cyclohexyl-N'-({2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl}methyl)urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.260399
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2610471
• LogD (pH = 7.4): 2.3959818
• Log P: 2.398032
• Molar Refractivity: 95.3948 cm^3
• Polarizability: 36.97329 Å^3
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.85
• LOG S: -5.24
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 5