6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide

C32H26F2N4O3S — CID 59399346

About 6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide

6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide (PubChem CID 59399346) has the molecular formula C32H26F2N4O3S and a molecular weight of 584.65 g/mol. Its IUPAC name is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide
• PubChem CID: 59399346
• Molecular Formula: C32H26F2N4O3S
• Molecular Weight: 584.65 g/mol
• Exact Mass: 584.17
• IUPAC Name: 6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide
• SMILES: CC(C)(c1cc(-c2ccccc2)cc(C(=O)NS(C)(=O)=O)n1)c1cc(-c2ccccc2)cc(-c2ccc(F)nc2F)n1
• InChI: InChI=1S/C32H26F2N4O3S/c1-32(2,28-19-23(21-12-8-5-9-13-21)17-26(36-28)31(39)38-42(3,40)41)27-18-22(20-10-6-4-7-11-20)16-25(35-27)24-14-15-29(33)37-30(24)34/h4-19H,1-3H3,(H,38,39)
• InChIKey: NMZYBFSSNACYBY-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 101.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.65
LogP ≤ 5	6.17
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)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide?

The IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide (CID 59399346) is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide.

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

The canonical SMILES for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide is CC(C)(c1cc(-c2ccccc2)cc(C(=O)NS(C)(=O)=O)n1)c1cc(-c2ccccc2)cc(-c2ccc(F)nc2F)n1.

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

The InChIKey is NMZYBFSSNACYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N4O3S/c1-32(2,28-19-23(21-12-8-5-9-13-21)17-26(36-28)31(39)38-42(3,40)41)27-18-22(20-10-6-4-7-11-20)16-25(35-27)24-14-15-29(33)37-30(24)34/h4-19H,1-3H3,(H,38,39).

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

6-[2-[6-(2,6-difluoro-3-pyridinyl)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide has a molecular weight of 584.65 g/mol, XLogP of 6.17, 7 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)-4-phenyl-2-pyridinyl]propan-2-yl]-N-methylsulfonyl-4-phenylpyridine-2-carboxamide is sourced from PubChem (CID 59399346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).