5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C21H16ClF4N3O3 — CID 177358502

About 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 177358502) has the molecular formula C21H16ClF4N3O3 and a molecular weight of 469.82 g/mol. Its IUPAC name is 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 177358502
• Molecular Formula: C21H16ClF4N3O3
• Molecular Weight: 469.82 g/mol
• Exact Mass: 469.08
• IUPAC Name: 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: CC(C)c1cc(F)ccc1Oc1nc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1
• InChI: InChI=1S/C21H16ClF4N3O3/c1-10(2)13-7-11(23)3-4-16(13)32-20-14(9-15(22)18(29-20)21(24,25)26)19(31)28-12-5-6-27-17(30)8-12/h3-10H,1-2H3,(H2,27,28,30,31)
• InChIKey: WMMYHEZDWJYFKK-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 84.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.82
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 177358502) is 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)c1cc(F)ccc1Oc1nc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1.

What is the InChIKey of 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is WMMYHEZDWJYFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF4N3O3/c1-10(2)13-7-11(23)3-4-16(13)32-20-14(9-15(22)18(29-20)21(24,25)26)19(31)28-12-5-6-27-17(30)8-12/h3-10H,1-2H3,(H2,27,28,30,31).

What are the key properties of 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?

5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 469.82 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 177358502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).