ChemSpider 2D Image | N-[2-(Dimethylamino)ethyl]-N-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-2-pyridinecarboxamide | C34H34N8O2

N-[2-(Dimethylamino)ethyl]-N-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-2-pyridinecarboxamide

  • Molecular FormulaC34H34N8O2
  • Average mass586.686 Da
  • Monoisotopic mass586.280457 Da
  • ChemSpider ID127422165

More details:

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

2-Pyridinecarboxamide, N-[2-(dimethylamino)ethyl]-N-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]- [ACD/Index Name]
N-[2-(Dimethylamino)ethyl]-N-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-[2-(Dimethylamino)ethyl]-N-{4-[(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)carbamoyl]benzyl}-2-pyridinecarboxamide [ACD/IUPAC Name]
N-[2-(Diméthylamino)éthyl]-N-{4-[(4-méthyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phényl)carbamoyl]benzyl}-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4463122/

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: 1.670
Molar Refractivity: 172.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.38
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 38.41
ACD/KOC (pH 7.4): 258.24
Polar Surface Area: 116 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 461.6±3.0 cm3

Click to predict properties on the Chemicalize site


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