4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C22H14F7N3O4 — CID 167370757

About 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 167370757) has the molecular formula C22H14F7N3O4 and a molecular weight of 517.36 g/mol. Its IUPAC name is 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
• PubChem CID: 167370757
• Molecular Formula: C22H14F7N3O4
• Molecular Weight: 517.36 g/mol
• Exact Mass: 517.09
• IUPAC Name: 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
• SMILES: Cc1c(C(F)(F)F)ccc(Oc2ccc(OC(F)(F)F)cc2F)c1C(=O)Nc1ccnc(C(N)=O)c1
• InChI: InChI=1S/C22H14F7N3O4/c1-10-13(21(24,25)26)3-5-17(35-16-4-2-12(9-14(16)23)36-22(27,28)29)18(10)20(34)32-11-6-7-31-15(8-11)19(30)33/h2-9H,1H3,(H2,30,33)(H,31,32,34)
• InChIKey: QSSCVSMFCQDHEV-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 103.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.36
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?

The IUPAC name of 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 167370757) is 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is Cc1c(C(F)(F)F)ccc(Oc2ccc(OC(F)(F)F)cc2F)c1C(=O)Nc1ccnc(C(N)=O)c1.

What is the InChIKey of 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?

The InChIKey is QSSCVSMFCQDHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F7N3O4/c1-10-13(21(24,25)26)3-5-17(35-16-4-2-12(9-14(16)23)36-22(27,28)29)18(10)20(34)32-11-6-7-31-15(8-11)19(30)33/h2-9H,1H3,(H2,30,33)(H,31,32,34).

What are the key properties of 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?

4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 517.36 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167370757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).