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

C23H17F6N3O5 — CID 154645097

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

4-[[6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645097) has the molecular formula C23H17F6N3O5 and a molecular weight of 529.39 g/mol. Its IUPAC name is 4-[[6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
• PubChem CID: 154645097
• Molecular Formula: C23H17F6N3O5
• Molecular Weight: 529.39 g/mol
• Exact Mass: 529.11
• IUPAC Name: 4-[[6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
• SMILES: COc1cc(OC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)c(C)c1C(=O)Nc1ccnc(C(N)=O)c1
• InChI: InChI=1S/C23H17F6N3O5/c1-11-14(22(24,25)26)4-6-17(19(11)21(34)32-12-7-8-31-15(9-12)20(30)33)36-16-5-3-13(10-18(16)35-2)37-23(27,28)29/h3-10H,1-2H3,(H2,30,33)(H,31,32,34)
• InChIKey: UVJHUPNZTWXCAY-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 112.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.39
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[[6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154645097) is 4-[[6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

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

The canonical SMILES for 4-[[6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)c(C)c1C(=O)Nc1ccnc(C(N)=O)c1.

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

The InChIKey is UVJHUPNZTWXCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N3O5/c1-11-14(22(24,25)26)4-6-17(19(11)21(34)32-12-7-8-31-15(9-12)20(30)33)36-16-5-3-13(10-18(16)35-2)37-23(27,28)29/h3-10H,1-2H3,(H2,30,33)(H,31,32,34).

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

4-[[6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 529.39 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).