ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen

C22H23F4N3O2 — CID 171072035

About ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen

ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 171072035) has the molecular formula C22H23F4N3O2 and a molecular weight of 437.44 g/mol. Its IUPAC name is ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 171072035
• Molecular Formula: C22H23F4N3O2
• Molecular Weight: 437.44 g/mol
• Exact Mass: 437.17
• IUPAC Name: ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen
• SMILES: CC.Cc1nc(F)ccc1Oc1ncc(C(F)(F)F)c(C)c1C(=O)Nc1ccccc1.[H][H]
• InChI: InChI=1S/C20H15F4N3O2.C2H6.H2/c1-11-14(20(22,23)24)10-25-19(29-15-8-9-16(21)26-12(15)2)17(11)18(28)27-13-6-4-3-5-7-13;1-2;/h3-10H,1-2H3,(H,27,28);1-2H3;1H
• InChIKey: AKFQFXGLQCETJG-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.44
LogP ≤ 5	6.57
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 ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen (CID 171072035) is ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen.

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

The canonical SMILES for ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen is CC.Cc1nc(F)ccc1Oc1ncc(C(F)(F)F)c(C)c1C(=O)Nc1ccccc1.[H][H].

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

The InChIKey is AKFQFXGLQCETJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2.C2H6.H2/c1-11-14(20(22,23)24)10-25-19(29-15-8-9-16(21)26-12(15)2)17(11)18(28)27-13-6-4-3-5-7-13;1-2;/h3-10H,1-2H3,(H,27,28);1-2H3;1H.

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

ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 437.44 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-N-phenyl-5-(trifluoromethyl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 171072035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).