5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide

C21H15F6N5O5 — CID 154645430

About 5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide

5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide (PubChem CID 154645430) has the molecular formula C21H15F6N5O5 and a molecular weight of 531.37 g/mol. Its IUPAC name is 5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide
• PubChem CID: 154645430
• Molecular Formula: C21H15F6N5O5
• Molecular Weight: 531.37 g/mol
• Exact Mass: 531.10
• IUPAC Name: 5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide
• SMILES: COc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(C)c1C(=O)Nc1cnc(C(N)=O)nc1
• InChI: InChI=1S/C21H15F6N5O5/c1-9-15(19(34)32-10-6-30-18(17(28)33)31-7-10)14(8-29-16(9)20(22,23)24)36-12-4-3-11(5-13(12)35-2)37-21(25,26)27/h3-8H,1-2H3,(H2,28,33)(H,32,34)
• InChIKey: FSARPEHMTUEIOE-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 138.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.37
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide (CID 154645430) is 5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide.

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

The canonical SMILES for 5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(C)c1C(=O)Nc1cnc(C(N)=O)nc1.

What is the InChIKey of 5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide?

The InChIKey is FSARPEHMTUEIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6N5O5/c1-9-15(19(34)32-10-6-30-18(17(28)33)31-7-10)14(8-29-16(9)20(22,23)24)36-12-4-3-11(5-13(12)35-2)37-21(25,26)27/h3-8H,1-2H3,(H2,28,33)(H,32,34).

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

5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide has a molecular weight of 531.37 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide is sourced from PubChem (CID 154645430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).