6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide

C26H22F2N4O3S — CID 59399294

About 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide

6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide (PubChem CID 59399294) has the molecular formula C26H22F2N4O3S and a molecular weight of 508.55 g/mol. Its IUPAC name is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide
• PubChem CID: 59399294
• Molecular Formula: C26H22F2N4O3S
• Molecular Weight: 508.55 g/mol
• Exact Mass: 508.14
• IUPAC Name: 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)NC(=O)c2cccc(C(C)(C)c3cccc(-c4ccc(F)nc4F)n3)n2)cc1
• InChI: InChI=1S/C26H22F2N4O3S/c1-16-10-12-17(13-11-16)36(34,35)32-25(33)20-7-5-9-22(30-20)26(2,3)21-8-4-6-19(29-21)18-14-15-23(27)31-24(18)28/h4-15H,1-3H3,(H,32,33)
• InChIKey: RHRMUWXHPFLFAU-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 101.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.55
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-(4-methylphenyl)sulfonylpyridine-2-carboxamide?

The IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide (CID 59399294) is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide.

What is the SMILES notation for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide?

The canonical SMILES for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2cccc(C(C)(C)c3cccc(-c4ccc(F)nc4F)n3)n2)cc1.

What is the InChIKey of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide?

The InChIKey is RHRMUWXHPFLFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O3S/c1-16-10-12-17(13-11-16)36(34,35)32-25(33)20-7-5-9-22(30-20)26(2,3)21-8-4-6-19(29-21)18-14-15-23(27)31-24(18)28/h4-15H,1-3H3,(H,32,33).

What are the key properties of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide?

6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-(4-methylphenyl)sulfonylpyridine-2-carboxamide has a molecular weight of 508.55 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4-methylphenyl)sulfonylpyridine-2-carboxamide is sourced from PubChem (CID 59399294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).