N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C28H24F3N3O — CID 126739275

About N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 126739275) has the molecular formula C28H24F3N3O and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
• PubChem CID: 126739275
• Molecular Formula: C28H24F3N3O
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.19
• IUPAC Name: N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(C23CC4CC5CC(C2)C543)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C28H24F3N3O/c29-28(30,31)17-3-1-4-22(13-17)33-24-23(5-2-10-32-24)25(35)34-21-8-6-16(7-9-21)26-14-19-11-18-12-20(15-26)27(18,19)26/h1-10,13,18-20H,11-12,14-15H2,(H,32,33)(H,34,35)
• InChIKey: MGZHMPHVXRWVSL-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?

The IUPAC name of N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 126739275) is N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?

The canonical SMILES for N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(Nc1ccc(C23CC4CC5CC(C2)C543)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?

The InChIKey is MGZHMPHVXRWVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O/c29-28(30,31)17-3-1-4-22(13-17)33-24-23(5-2-10-32-24)25(35)34-21-8-6-16(7-9-21)26-14-19-11-18-12-20(15-26)27(18,19)26/h1-10,13,18-20H,11-12,14-15H2,(H,32,33)(H,34,35).

What are the key properties of N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?

N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 6.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 126739275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).