ChemSpider 2D Image | N-(2-{[3-(4-{6-[(6-Acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-1-piperazinyl)propanoyl]amino}ethyl)acrylamide | C32H41N9O4

N-(2-{[3-(4-{6-[(6-Acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-1-piperazinyl)propanoyl]amino}ethyl)acrylamide

  • Molecular FormulaC32H41N9O4
  • Average mass615.726 Da
  • Monoisotopic mass615.328125 Da
  • ChemSpider ID129192081

More details:

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

1-Piperazinepropanamide, 4-[6-[(6-acetyl-8-cyclopentyl-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-N-[2-[(1-oxo-2-propen-1-yl)amino]ethyl]- [ACD/Index Name]
N-(2-{[3-(4-{6-[(6-Acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-1-piperazinyl)propanoyl]amino}ethyl)acrylamid [German] [ACD/IUPAC Name]
N-(2-{[3-(4-{6-[(6-Acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-1-piperazinyl)propanoyl]amino}ethyl)acrylamide [ACD/IUPAC Name]
N-(2-{[3-(4-{6-[(6-Acétyl-8-cyclopentyl-5-méthyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-1-pipérazinyl)propanoyl]amino}éthyl)acrylamide [French] [ACD/IUPAC Name]

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: 1.619
Molar Refractivity: 168.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.00
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 42.92
Polar Surface Area: 153 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 479.3±3.0 cm3

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