6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide

C24H24FN3O6S — CID 131989413

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide (PubChem CID 131989413) has the molecular formula C24H24FN3O6S and a molecular weight of 501.54 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
• PubChem CID: 131989413
• Molecular Formula: C24H24FN3O6S
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.14
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccn3)c(OC3COC3)n2)c1
• InChI: InChI=1S/C24H24FN3O6S/c1-15(2)12-33-18-10-16(9-17(25)11-18)21-7-6-20(24(27-21)34-19-13-32-14-19)23(29)28-35(30,31)22-5-3-4-8-26-22/h3-11,15,19H,12-14H2,1-2H3,(H,28,29)
• InChIKey: HGBDNVXLCXBVTF-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 116.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.54
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide (CID 131989413) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide.

What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?

The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccn3)c(OC3COC3)n2)c1.

What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?

The InChIKey is HGBDNVXLCXBVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O6S/c1-15(2)12-33-18-10-16(9-17(25)11-18)21-7-6-20(24(27-21)34-19-13-32-14-19)23(29)28-35(30,31)22-5-3-4-8-26-22/h3-11,15,19H,12-14H2,1-2H3,(H,28,29).

What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(oxetan-3-yloxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 131989413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).