2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide

C20H14F5N3O2 — CID 171071979

About 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide

2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 171071979) has the molecular formula C20H14F5N3O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 171071979
• Molecular Formula: C20H14F5N3O2
• Molecular Weight: 423.34 g/mol
• Exact Mass: 423.10
• IUPAC Name: 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: Cc1nc(F)ccc1Oc1ncc(C(F)(F)F)c(C)c1C(=O)Nc1ccc(F)cc1
• InChI: InChI=1S/C20H14F5N3O2/c1-10-14(20(23,24)25)9-26-19(30-15-7-8-16(22)27-11(15)2)17(10)18(29)28-13-5-3-12(21)4-6-13/h3-9H,1-2H3,(H,28,29)
• InChIKey: DQNIGFRCMGAJNI-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.34
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide (CID 171071979) is 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(F)ccc1Oc1ncc(C(F)(F)F)c(C)c1C(=O)Nc1ccc(F)cc1.

What is the InChIKey of 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is DQNIGFRCMGAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5N3O2/c1-10-14(20(23,24)25)9-26-19(30-15-7-8-16(22)27-11(15)2)17(10)18(29)28-13-5-3-12(21)4-6-13/h3-9H,1-2H3,(H,28,29).

What are the key properties of 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?

2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 423.34 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171071979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).