ChemSpider 2D Image | N-(4-Methyl-3-{[4-(1-oxido-3-pyridinyl)-2-pyrimidinyl]amino}phenyl)-4-[(4-methyl-1-piperazinyl)methyl]benzamide | C29H31N7O2

N-(4-Methyl-3-{[4-(1-oxido-3-pyridinyl)-2-pyrimidinyl]amino}phenyl)-4-[(4-methyl-1-piperazinyl)methyl]benzamide

  • Molecular FormulaC29H31N7O2
  • Average mass509.602 Da
  • Monoisotopic mass509.253937 Da
  • ChemSpider ID8003383

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzamide, N-[4-methyl-3-[[4-(1-oxido-3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]- [ACD/Index Name]
N-(4-Methyl-3-{[4-(1-oxido-3-pyridinyl)-2-pyrimidinyl]amino}phenyl)-4-[(4-methyl-1-piperazinyl)methyl]benzamid [German] [ACD/IUPAC Name]
N-(4-Methyl-3-{[4-(1-oxido-3-pyridinyl)-2-pyrimidinyl]amino}phenyl)-4-[(4-methyl-1-piperazinyl)methyl]benzamide [ACD/IUPAC Name]
N-(4-Méthyl-3-{[4-(1-oxydo-3-pyridinyl)-2-pyrimidinyl]amino}phényl)-4-[(4-méthyl-1-pipérazinyl)méthyl]benzamide [French] [ACD/IUPAC Name]
571186-92-0 [RN]
CGP 72383
Imatinib (Pyridine)-N-oxide
IMATINIB PYRIDINE-N-OXIDE
MFCD11978026
N-[4-Methyl-3-[[4-(1-oxido-3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.666
    Molar Refractivity: 148.9±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 0.37
    ACD/LogD (pH 5.5): -0.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.33
    ACD/LogD (pH 7.4): 1.05
    ACD/BCF (pH 7.4): 2.96
    ACD/KOC (pH 7.4): 58.41
    Polar Surface Area: 99 Å2
    Polarizability: 59.0±0.5 10-24cm3
    Surface Tension: 52.6±7.0 dyne/cm
    Molar Volume: 400.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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