4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate

C43H33F8N7O11 — CID 161475679

About 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate

4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate (PubChem CID 161475679) has the molecular formula C43H33F8N7O11 and a molecular weight of 975.76 g/mol. Its IUPAC name is 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate
• PubChem CID: 161475679
• Molecular Formula: C43H33F8N7O11
• Molecular Weight: 975.76 g/mol
• Exact Mass: 975.21
• IUPAC Name: 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate
• SMILES: COC(=O)c1cc(NC(=O)c2c(F)cncc2Oc2ccc(OC(F)(F)F)cc2OC)c(C)cn1.COc1cc(OC(F)(F)F)ccc1Oc1cncc(F)c1C(=O)Nc1cc(C(N)=O)ncc1C
• InChI: InChI=1S/C22H17F4N3O6.C21H16F4N4O5/c1-11-8-28-15(21(31)33-3)7-14(11)29-20(30)19-13(23)9-27-10-18(19)34-16-5-4-12(6-17(16)32-2)35-22(24,25)26;1-10-7-28-14(19(26)30)6-13(10)29-20(31)18-12(22)8-27-9-17(18)33-15-4-3-11(5-16(15)32-2)34-21(23,24)25/h4-10H,1-3H3,(H,28,29,30);3-9H,1-2H3,(H2,26,30)(H,28,29,31)
• InChIKey: WDRGYJFUYRCADQ-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 234.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	975.76
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate?

The IUPAC name of 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate (CID 161475679) is 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate.

What is the SMILES notation for 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate?

The canonical SMILES for 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate is COC(=O)c1cc(NC(=O)c2c(F)cncc2Oc2ccc(OC(F)(F)F)cc2OC)c(C)cn1.COc1cc(OC(F)(F)F)ccc1Oc1cncc(F)c1C(=O)Nc1cc(C(N)=O)ncc1C.

What is the InChIKey of 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate?

The InChIKey is WDRGYJFUYRCADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O6.C21H16F4N4O5/c1-11-8-28-15(21(31)33-3)7-14(11)29-20(30)19-13(23)9-27-10-18(19)34-16-5-4-12(6-17(16)32-2)35-22(24,25)26;1-10-7-28-14(19(26)30)6-13(10)29-20(31)18-12(22)8-27-9-17(18)33-15-4-3-11(5-16(15)32-2)34-21(23,24)25/h4-10H,1-3H3,(H,28,29,30);3-9H,1-2H3,(H2,26,30)(H,28,29,31).

What are the key properties of 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate?

4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate has a molecular weight of 975.76 g/mol, XLogP of 8.64, 14 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 161475679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).