6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide

C26H28FN3O6S — CID 157246620

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide (PubChem CID 157246620) has the molecular formula C26H28FN3O6S and a molecular weight of 529.59 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide
• PubChem CID: 157246620
• Molecular Formula: C26H28FN3O6S
• Molecular Weight: 529.59 g/mol
• Exact Mass: 529.17
• IUPAC Name: 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide
• SMILES: Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OCC2CCO2)n1
• InChI: InChI=1S/C26H28FN3O6S/c1-16(2)14-35-21-12-18(11-19(27)13-21)23-8-7-22(26(29-23)36-15-20-9-10-34-20)25(31)30-37(32,33)24-6-4-5-17(3)28-24/h4-8,11-13,16,20H,9-10,14-15H2,1-3H3,(H,30,31)
• InChIKey: LANAVTSTJDIMQD-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 116.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.59
LogP ≤ 5	3.91
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]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide?

The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide (CID 157246620) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide?

The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide is Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2OCC2CCO2)n1.

What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide?

The InChIKey is LANAVTSTJDIMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O6S/c1-16(2)14-35-21-12-18(11-19(27)13-21)23-8-7-22(26(29-23)36-15-20-9-10-34-20)25(31)30-37(32,33)24-6-4-5-17(3)28-24/h4-8,11-13,16,20H,9-10,14-15H2,1-3H3,(H,30,31).

What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide?

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 529.59 g/mol, XLogP of 3.91, 10 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]-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(oxetan-2-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 157246620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).