5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide

C22H14F7N3O6 — CID 137406441

About 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide

5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 137406441) has the molecular formula C22H14F7N3O6 and a molecular weight of 552.37 g/mol. Its IUPAC name is 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
• PubChem CID: 137406441
• Molecular Formula: C22H14F7N3O6
• Molecular Weight: 552.37 g/mol
• Exact Mass: 552.10
• IUPAC Name: 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
• SMILES: [2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(OC(F)(F)F)cc(F)c1C(=O)Nc1ccc(C(N)=O)nc1
• InChI: InChI=1S/C22H14F7N3O6/c1-35-16-7-11(37-21(24,25)26)3-5-15(16)36-17-8-12(38-22(27,28)29)6-13(23)18(17)20(34)32-10-2-4-14(19(30)33)31-9-10/h2-9H,1H3,(H2,30,33)(H,32,34)/i1D3
• InChIKey: GIPCVLVYLRDOHP-FIBGUPNXSA-N
• XLogP: 5.17
• TPSA: 122.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.37
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide?

The IUPAC name of 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide (CID 137406441) is 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide is [2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(OC(F)(F)F)cc(F)c1C(=O)Nc1ccc(C(N)=O)nc1.

What is the InChIKey of 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide?

The InChIKey is GIPCVLVYLRDOHP-FIBGUPNXSA-N. The full InChI is InChI=1S/C22H14F7N3O6/c1-35-16-7-11(37-21(24,25)26)3-5-15(16)36-17-8-12(38-22(27,28)29)6-13(23)18(17)20(34)32-10-2-4-14(19(30)33)31-9-10/h2-9H,1H3,(H2,30,33)(H,32,34)/i1D3.

What are the key properties of 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide?

5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 552.37 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 137406441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).