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

C28H24F7N3O5 — CID 154645283

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

4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645283) has the molecular formula C28H24F7N3O5 and a molecular weight of 615.50 g/mol. Its IUPAC name is 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
• PubChem CID: 154645283
• Molecular Formula: C28H24F7N3O5
• Molecular Weight: 615.50 g/mol
• Exact Mass: 615.16
• IUPAC Name: 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
• SMILES: COc1cc(OC(F)(F)F)ccc1Oc1cc(C2CCC(C(F)(F)F)CC2)cc(F)c1C(=O)Nc1ccnc(C(N)=O)c1
• InChI: InChI=1S/C28H24F7N3O5/c1-41-22-13-18(43-28(33,34)35)6-7-21(22)42-23-11-15(14-2-4-16(5-3-14)27(30,31)32)10-19(29)24(23)26(40)38-17-8-9-37-20(12-17)25(36)39/h6-14,16H,2-5H2,1H3,(H2,36,39)(H,37,38,40)
• InChIKey: FWZVDISZHJKIIE-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 112.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.50
LogP ≤ 5	7.11
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]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide?

The IUPAC name of 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide (CID 154645283) is 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide.

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

The canonical SMILES for 4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cc(C2CCC(C(F)(F)F)CC2)cc(F)c1C(=O)Nc1ccnc(C(N)=O)c1.

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

The InChIKey is FWZVDISZHJKIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F7N3O5/c1-41-22-13-18(43-28(33,34)35)6-7-21(22)42-23-11-15(14-2-4-16(5-3-14)27(30,31)32)10-19(29)24(23)26(40)38-17-8-9-37-20(12-17)25(36)39/h6-14,16H,2-5H2,1H3,(H2,36,39)(H,37,38,40).

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

4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 615.50 g/mol, XLogP of 7.11, 8 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]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).