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

C23H14F6N4O5 — CID 154645123

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

4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645123) has the molecular formula C23H14F6N4O5 and a molecular weight of 540.38 g/mol. Its IUPAC name is 4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
• PubChem CID: 154645123
• Molecular Formula: C23H14F6N4O5
• Molecular Weight: 540.38 g/mol
• Exact Mass: 540.09
• IUPAC Name: 4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
• SMILES: COc1cc(OC(F)(F)F)ccc1Oc1ccc(C(F)(F)F)c(C#N)c1C(=O)Nc1ccnc(C(N)=O)c1
• InChI: InChI=1S/C23H14F6N4O5/c1-36-18-9-12(38-23(27,28)29)2-4-16(18)37-17-5-3-14(22(24,25)26)13(10-30)19(17)21(35)33-11-6-7-32-15(8-11)20(31)34/h2-9H,1H3,(H2,31,34)(H,32,33,35)
• InChIKey: GZUWJABFJXWTAA-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 136.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.38
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 154645123) is 4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

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

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

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

The InChIKey is GZUWJABFJXWTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F6N4O5/c1-36-18-9-12(38-23(27,28)29)2-4-16(18)37-17-5-3-14(22(24,25)26)13(10-30)19(17)21(35)33-11-6-7-32-15(8-11)20(31)34/h2-9H,1H3,(H2,31,34)(H,32,33,35).

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

4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 540.38 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).