N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide

C24H18F5N3O5 — CID 137406862

About N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide

N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide (PubChem CID 137406862) has the molecular formula C24H18F5N3O5 and a molecular weight of 523.41 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
• PubChem CID: 137406862
• Molecular Formula: C24H18F5N3O5
• Molecular Weight: 523.41 g/mol
• Exact Mass: 523.12
• IUPAC Name: N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
• SMILES: COc1cc(OC(F)(F)F)ccc1Oc1cnc(C2CC2)c(F)c1C(=O)Nc1ccc(F)c(C(N)=O)c1
• InChI: InChI=1S/C24H18F5N3O5/c1-35-17-9-13(37-24(27,28)29)5-7-16(17)36-18-10-31-21(11-2-3-11)20(26)19(18)23(34)32-12-4-6-15(25)14(8-12)22(30)33/h4-11H,2-3H2,1H3,(H2,30,33)(H,32,34)
• InChIKey: WWFLRTFMLSKTGV-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 112.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.41
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide?

The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide (CID 137406862) is N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide.

What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide?

The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cnc(C2CC2)c(F)c1C(=O)Nc1ccc(F)c(C(N)=O)c1.

What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide?

The InChIKey is WWFLRTFMLSKTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O5/c1-35-17-9-13(37-24(27,28)29)5-7-16(17)36-18-10-31-21(11-2-3-11)20(26)19(18)23(34)32-12-4-6-15(25)14(8-12)22(30)33/h4-11H,2-3H2,1H3,(H2,30,33)(H,32,34).

What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide?

N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide has a molecular weight of 523.41 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide is sourced from PubChem (CID 137406862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).