ChemSpider 2D Image | (8Z)-2-Amino-6-isopropyl-4-(3-pyridinyl)-8-(3-pyridinylmethylene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile | C23H23N5O

(8Z)-2-Amino-6-isopropyl-4-(3-pyridinyl)-8-(3-pyridinylmethylene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

  • Molecular FormulaC23H23N5O
  • Average mass385.462 Da
  • Monoisotopic mass385.190247 Da
  • ChemSpider ID23076010

  • Double-bond stereo - Double-bond stereo

More details:

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

(8Z)-2-Amino-6-isopropyl-4-(3-pyridinyl)-8-(3-pyridinylmethylen)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridin-3-carbonitril [German] [ACD/IUPAC Name]
(8Z)-2-Amino-6-isopropyl-4-(3-pyridinyl)-8-(3-pyridinylmethylene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile [ACD/IUPAC Name]
(8Z)-2-Amino-6-isopropyl-4-(3-pyridinyl)-8-(3-pyridinylméthylène)-5,6,7,8-tétrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile [French] [ACD/IUPAC Name]
(8Z)-2-Amino-6-isopropyl-4-(pyridin-3-yl)-8-(pyridin-3-ylmethylene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
4H-Pyrano[3,2-c]pyridine-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-6-(1-methylethyl)-4-(3-pyridinyl)-8-(3-pyridinylmethylene)-, (8Z)- [ACD/Index Name]
(8Z)-2-amino-6-(propan-2-yl)-4-(pyridin-3-yl)-8-(pyridin-3-ylmethylidene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 667.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 44.35
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.16
ACD/KOC (pH 7.4): 303.89
Polar Surface Area: 88 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 300.4±5.0 cm3

Click to predict properties on the Chemicalize site


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