2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide

C36H39FN2O4 — CID 59043182

About 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide

2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide (PubChem CID 59043182) has the molecular formula C36H39FN2O4 and a molecular weight of 582.72 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide
• PubChem CID: 59043182
• Molecular Formula: C36H39FN2O4
• Molecular Weight: 582.72 g/mol
• Exact Mass: 582.29
• IUPAC Name: 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide
• SMILES: CC(C)CC1=C(CC(=O)Nc2ccccc2)CC(c2ccccc2)=C(c2ccc(F)cc2)N1CC[C@@H]1C[C@@H](O)CC(=O)O1
• InChI: InChI=1S/C36H39FN2O4/c1-24(2)19-33-27(21-34(41)38-29-11-7-4-8-12-29)20-32(25-9-5-3-6-10-25)36(26-13-15-28(37)16-14-26)39(33)18-17-31-22-30(40)23-35(42)43-31/h3-16,24,30-31,40H,17-23H2,1-2H3,(H,38,41)/t30-,31-/m1/s1
• InChIKey: SFIBDSHCXXKRET-FIRIVFDPSA-N
• XLogP: 7.19
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.72
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide?

The IUPAC name of 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide (CID 59043182) is 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide.

What is the SMILES notation for 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide?

The canonical SMILES for 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide is CC(C)CC1=C(CC(=O)Nc2ccccc2)CC(c2ccccc2)=C(c2ccc(F)cc2)N1CC[C@@H]1C[C@@H](O)CC(=O)O1.

What is the InChIKey of 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide?

The InChIKey is SFIBDSHCXXKRET-FIRIVFDPSA-N. The full InChI is InChI=1S/C36H39FN2O4/c1-24(2)19-33-27(21-34(41)38-29-11-7-4-8-12-29)20-32(25-9-5-3-6-10-25)36(26-13-15-28(37)16-14-26)39(33)18-17-31-22-30(40)23-35(42)43-31/h3-16,24,30-31,40H,17-23H2,1-2H3,(H,38,41)/t30-,31-/m1/s1.

What are the key properties of 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide?

2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide has a molecular weight of 582.72 g/mol, XLogP of 7.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-(2-methylpropyl)-5-phenyl-4H-pyridin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 59043182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).