6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide

C28H26F2N4O — CID 59399137

About 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide

6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 59399137) has the molecular formula C28H26F2N4O and a molecular weight of 472.54 g/mol. Its IUPAC name is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide
• PubChem CID: 59399137
• Molecular Formula: C28H26F2N4O
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.21
• IUPAC Name: 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide
• SMILES: CC(C)(NC(=O)c1cccc(C(C)(C)c2cccc(-c3ccc(F)nc3F)n2)n1)c1ccccc1
• InChI: InChI=1S/C28H26F2N4O/c1-27(2,22-14-8-12-20(31-22)19-16-17-24(29)33-25(19)30)23-15-9-13-21(32-23)26(35)34-28(3,4)18-10-6-5-7-11-18/h5-17H,1-4H3,(H,34,35)
• InChIKey: GXIHNRBUSXLWFG-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.54
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide?

The IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide (CID 59399137) is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide.

What is the SMILES notation for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide?

The canonical SMILES for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide is CC(C)(NC(=O)c1cccc(C(C)(C)c2cccc(-c3ccc(F)nc3F)n2)n1)c1ccccc1.

What is the InChIKey of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide?

The InChIKey is GXIHNRBUSXLWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O/c1-27(2,22-14-8-12-20(31-22)19-16-17-24(29)33-25(19)30)23-15-9-13-21(32-23)26(35)34-28(3,4)18-10-6-5-7-11-18/h5-17H,1-4H3,(H,34,35).

What are the key properties of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide?

6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(2-phenylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 59399137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).