6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C26H23FN4O5S — CID 131989353

About 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 131989353) has the molecular formula C26H23FN4O5S and a molecular weight of 522.56 g/mol. Its IUPAC name is 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 131989353
• Molecular Formula: C26H23FN4O5S
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.14
• IUPAC Name: 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: COc1ncc(F)cc1-c1ccc(C(=O)NS(=O)(=O)c2ccccn2)c(Oc2c(C)cc(C)cc2C)n1
• InChI: InChI=1S/C26H23FN4O5S/c1-15-11-16(2)23(17(3)12-15)36-26-19(24(32)31-37(33,34)22-7-5-6-10-28-22)8-9-21(30-26)20-13-18(27)14-29-25(20)35-4/h5-14H,1-4H3,(H,31,32)
• InChIKey: WRTMECMGCKXWCY-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 120.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 131989353) is 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is COc1ncc(F)cc1-c1ccc(C(=O)NS(=O)(=O)c2ccccn2)c(Oc2c(C)cc(C)cc2C)n1.

What is the InChIKey of 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The InChIKey is WRTMECMGCKXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O5S/c1-15-11-16(2)23(17(3)12-15)36-26-19(24(32)31-37(33,34)22-7-5-6-10-28-22)8-9-21(30-26)20-13-18(27)14-29-25(20)35-4/h5-14H,1-4H3,(H,31,32).

What are the key properties of 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 522.56 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-fluoro-2-methoxy-3-pyridinyl)-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 131989353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).