ChemSpider 2D Image | 4-{[(3R)-3-(Acryloylamino)-1-piperidinyl]methyl}-N-{4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-pyridinecarboxamide | C31H34N8O3

4-{[(3R)-3-(Acryloylamino)-1-piperidinyl]methyl}-N-{4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-pyridinecarboxamide

  • Molecular FormulaC31H34N8O3
  • Average mass566.654 Da
  • Monoisotopic mass566.275391 Da
  • ChemSpider ID115037287

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-4-[[(3R)-3-[(1-oxo-2-propen-1-yl)amino]-1-piperidinyl]methyl]- [ACD/Index Name]
4-{[(3R)-3-(Acryloylamino)-1-piperidinyl]methyl}-N-{4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-pyridincarboxamid [German] [ACD/IUPAC Name]
4-{[(3R)-3-(Acryloylamino)-1-piperidinyl]methyl}-N-{4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-pyridinecarboxamide [ACD/IUPAC Name]
4-{[(3R)-3-(Acryloylamino)-1-pipéridinyl]méthyl}-N-{4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phényl}-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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: 1.696
Molar Refractivity: 158.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.42
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.18
ACD/KOC (pH 7.4): 166.17
Polar Surface Area: 128 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 412.1±5.0 cm3

Click to predict properties on the Chemicalize site


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