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

C23H16F7N3O5 — CID 154644913

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

4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154644913) has the molecular formula C23H16F7N3O5 and a molecular weight of 547.38 g/mol. Its IUPAC name is 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
• PubChem CID: 154644913
• Molecular Formula: C23H16F7N3O5
• Molecular Weight: 547.38 g/mol
• Exact Mass: 547.10
• IUPAC Name: 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
• SMILES: COc1cc(OC(F)(F)F)ccc1Oc1cc(C(F)(F)F)c(C)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1
• InChI: InChI=1S/C23H16F7N3O5/c1-10-13(22(25,26)27)9-17(37-15-4-3-12(8-16(15)36-2)38-23(28,29)30)18(19(10)24)21(35)33-11-5-6-32-14(7-11)20(31)34/h3-9H,1-2H3,(H2,31,34)(H,32,33,35)
• InChIKey: XLMFCIMITQJJIR-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 112.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.38
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154644913) is 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

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

The canonical SMILES for 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cc(C(F)(F)F)c(C)c(F)c1C(=O)Nc1ccnc(C(N)=O)c1.

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

The InChIKey is XLMFCIMITQJJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F7N3O5/c1-10-13(22(25,26)27)9-17(37-15-4-3-12(8-16(15)36-2)38-23(28,29)30)18(19(10)24)21(35)33-11-5-6-32-14(7-11)20(31)34/h3-9H,1-2H3,(H2,31,34)(H,32,33,35).

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

4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 547.38 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154644913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).