ChemSpider 2D Image | N-(1-Benzyl-4-piperidinyl)-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide | C33H45N5O2

N-(1-Benzyl-4-piperidinyl)-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide

  • Molecular FormulaC33H45N5O2
  • Average mass543.743 Da
  • Monoisotopic mass543.357300 Da
  • ChemSpider ID65153055

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H,4H-Pyrido[3,2,1-ij][1,6]naphthyridine-1-butanamide, decahydro-N-[1-(phenylmethyl)-4-piperidinyl]-2-(3-pyridinylcarbonyl)-, (1R,3aS,10aR,10bS)- [ACD/Index Name]
N-(1-Benzyl-4-piperidinyl)-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamid [German] [ACD/IUPAC Name]
N-(1-Benzyl-4-piperidinyl)-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide [ACD/IUPAC Name]
N-(1-Benzyl-4-pipéridinyl)-4-[(1R,3aS,10aR,10bS)-2-(3-pyridinylcarbonyl)décahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridin-1-yl]butanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.9±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.27
Polar Surface Area: 69 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 448.0±5.0 cm3

Click to predict properties on the Chemicalize site


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