N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide

C25H20FN3O4S — CID 58541222

About N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide (PubChem CID 58541222) has the molecular formula C25H20FN3O4S and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide
• PubChem CID: 58541222
• Molecular Formula: C25H20FN3O4S
• Molecular Weight: 477.52 g/mol
• Exact Mass: 477.12
• IUPAC Name: N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide
• SMILES: COc1cccc(F)c1Oc1ccc(NC(=O)c2ccccn2)cc1CC(=O)Cc1nccs1
• InChI: InChI=1S/C25H20FN3O4S/c1-32-22-7-4-5-19(26)24(22)33-21-9-8-17(29-25(31)20-6-2-3-10-27-20)13-16(21)14-18(30)15-23-28-11-12-34-23/h2-13H,14-15H2,1H3,(H,29,31)
• InChIKey: TXFZHWLILUWBDV-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 90.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.52
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide?

The IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide (CID 58541222) is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide is COc1cccc(F)c1Oc1ccc(NC(=O)c2ccccn2)cc1CC(=O)Cc1nccs1.

What is the InChIKey of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide?

The InChIKey is TXFZHWLILUWBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4S/c1-32-22-7-4-5-19(26)24(22)33-21-9-8-17(29-25(31)20-6-2-3-10-27-20)13-16(21)14-18(30)15-23-28-11-12-34-23/h2-13H,14-15H2,1H3,(H,29,31).

What are the key properties of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide?

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58541222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).