2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

C38H36F8N6O6 — CID 155408184

About 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (PubChem CID 155408184) has the molecular formula C38H36F8N6O6 and a molecular weight of 824.73 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
• PubChem CID: 155408184
• Molecular Formula: C38H36F8N6O6
• Molecular Weight: 824.73 g/mol
• Exact Mass: 824.26
• IUPAC Name: 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
• SMILES: CC(C)C(=O)Nc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cc2F)ccn1.O=C(NCCOc1ccc(C(F)(F)F)cc1F)c1ccnc(NC(=O)C2CC2)c1
• InChI: InChI=1S/C19H17F4N3O3.C19H19F4N3O3/c20-14-10-13(19(21,22)23)3-4-15(14)29-8-7-25-17(27)12-5-6-24-16(9-12)26-18(28)11-1-2-11;1-11(2)17(27)26-16-9-12(5-6-24-16)18(28)25-7-8-29-15-4-3-13(10-14(15)20)19(21,22)23/h3-6,9-11H,1-2,7-8H2,(H,25,27)(H,24,26,28);3-6,9-11H,7-8H2,1-2H3,(H,25,28)(H,24,26,27)
• InChIKey: RZIFYLCSTLBBCY-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 160.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.73
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?

The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (CID 155408184) is 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.

What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?

The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is CC(C)C(=O)Nc1cc(C(=O)NCCOc2ccc(C(F)(F)F)cc2F)ccn1.O=C(NCCOc1ccc(C(F)(F)F)cc1F)c1ccnc(NC(=O)C2CC2)c1.

What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?

The InChIKey is RZIFYLCSTLBBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O3.C19H19F4N3O3/c20-14-10-13(19(21,22)23)3-4-15(14)29-8-7-25-17(27)12-5-6-24-16(9-12)26-18(28)11-1-2-11;1-11(2)17(27)26-16-9-12(5-6-24-16)18(28)25-7-8-29-15-4-3-13(10-14(15)20)19(21,22)23/h3-6,9-11H,1-2,7-8H2,(H,25,27)(H,24,26,28);3-6,9-11H,7-8H2,1-2H3,(H,25,28)(H,24,26,27).

What are the key properties of 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?

2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide has a molecular weight of 824.73 g/mol, XLogP of 7.04, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 155408184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).