4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C23H17F6N3O4 — CID 154645104

About 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645104) has the molecular formula C23H17F6N3O4 and a molecular weight of 513.39 g/mol. Its IUPAC name is 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
• PubChem CID: 154645104
• Molecular Formula: C23H17F6N3O4
• Molecular Weight: 513.39 g/mol
• Exact Mass: 513.11
• IUPAC Name: 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
• SMILES: CC(C)Oc1ccc(Oc2ccc(C(F)(F)F)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)c(F)c1F
• InChI: InChI=1S/C23H17F6N3O4/c1-10(2)35-15-5-6-16(20(26)19(15)25)36-14-4-3-12(23(27,28)29)18(24)17(14)22(34)32-11-7-8-31-13(9-11)21(30)33/h3-10H,1-2H3,(H2,30,33)(H,31,32,34)
• InChIKey: LXBCWMWNMIKCMT-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 103.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.39
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?

The IUPAC name of 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154645104) is 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is CC(C)Oc1ccc(Oc2ccc(C(F)(F)F)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)c(F)c1F.

What is the InChIKey of 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?

The InChIKey is LXBCWMWNMIKCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N3O4/c1-10(2)35-15-5-6-16(20(26)19(15)25)36-14-4-3-12(23(27,28)29)18(24)17(14)22(34)32-11-7-8-31-13(9-11)21(30)33/h3-10H,1-2H3,(H2,30,33)(H,31,32,34).

What are the key properties of 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?

4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 513.39 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).