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

C26H24F6N4O6 — CID 167370841

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

4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 167370841) has the molecular formula C26H24F6N4O6 and a molecular weight of 602.49 g/mol. Its IUPAC name is 4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
• PubChem CID: 167370841
• Molecular Formula: C26H24F6N4O6
• Molecular Weight: 602.49 g/mol
• Exact Mass: 602.16
• IUPAC Name: 4-[[2-[2-(dimethylamino)ethoxy]-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(OCCN(C)C)c1C(=O)Nc1ccnc(C(N)=O)c1
• InChI: InChI=1S/C26H24F6N4O6/c1-36(2)10-11-40-22-16(25(27,28)29)5-7-19(21(22)24(38)35-14-8-9-34-17(12-14)23(33)37)41-18-6-4-15(13-20(18)39-3)42-26(30,31)32/h4-9,12-13H,10-11H2,1-3H3,(H2,33,37)(H,34,35,38)
• InChIKey: PXYNTUMCHFRMHL-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 125.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.49
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 167370841) is 4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

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

The canonical SMILES for 4-[[2-[2-(dimethylamino)ethoxy]-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(OCCN(C)C)c1C(=O)Nc1ccnc(C(N)=O)c1.

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

The InChIKey is PXYNTUMCHFRMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F6N4O6/c1-36(2)10-11-40-22-16(25(27,28)29)5-7-19(21(22)24(38)35-14-8-9-34-17(12-14)23(33)37)41-18-6-4-15(13-20(18)39-3)42-26(30,31)32/h4-9,12-13H,10-11H2,1-3H3,(H2,33,37)(H,34,35,38).

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

4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 602.49 g/mol, XLogP of 5.09, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167370841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).