ChemSpider 2D Image | 3-[(2-{[1-(N,N-Dimethylglycyl)-6-methoxy-1,2,3,4-tetrahydro-7-quinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-2-pyridinecarboxamide | C27H31N9O3

3-[(2-{[1-(N,N-Dimethylglycyl)-6-methoxy-1,2,3,4-tetrahydro-7-quinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-2-pyridinecarboxamide

  • Molecular FormulaC27H31N9O3
  • Average mass529.594 Da
  • Monoisotopic mass529.255005 Da
  • ChemSpider ID26645532

More details:

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

2-Pyridinecarboxamide, 3-[[2-[[1-[2-(dimethylamino)acetyl]-1,2,3,4-tetrahydro-6-methoxy-7-quinolinyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl- [ACD/Index Name]
3-[(2-{[1-(N,N-Dimethylglycyl)-6-methoxy-1,2,3,4-tetrahydro-7-chinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-2-pyridincarboxamid [German] [ACD/IUPAC Name]
3-[(2-{[1-(N,N-Diméthylglycyl)-6-méthoxy-1,2,3,4-tétrahydro-7-quinoléinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-méthyl-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
3-[(2-{[1-(N,N-Dimethylglycyl)-6-methoxy-1,2,3,4-tetrahydro-7-quinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-2-pyridinecarboxamide [ACD/IUPAC Name]
GSK2220400A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 149.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 5.70
ACD/KOC (pH 7.4): 97.84
Polar Surface Area: 140 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 387.4±3.0 cm3

Click to predict properties on the Chemicalize site


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