N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C30H30F3N3O — CID 155134137

About N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 155134137) has the molecular formula C30H30F3N3O and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
• PubChem CID: 155134137
• Molecular Formula: C30H30F3N3O
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.23
• IUPAC Name: N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(C23CC4CCC2CCC(C4)C3)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C30H30F3N3O/c31-30(32,33)23-3-1-4-25(16-23)35-27-26(5-2-14-34-27)28(37)36-24-12-10-22(11-13-24)29-17-19-6-8-21(29)9-7-20(15-19)18-29/h1-5,10-14,16,19-21H,6-9,15,17-18H2,(H,34,35)(H,36,37)
• InChIKey: SIKWMFFOBMPQCV-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?

The IUPAC name of N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 155134137) is N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?

The canonical SMILES for N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(Nc1ccc(C23CC4CCC2CCC(C4)C3)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?

The InChIKey is SIKWMFFOBMPQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N3O/c31-30(32,33)23-3-1-4-25(16-23)35-27-26(5-2-14-34-27)28(37)36-24-12-10-22(11-13-24)29-17-19-6-8-21(29)9-7-20(15-19)18-29/h1-5,10-14,16,19-21H,6-9,15,17-18H2,(H,34,35)(H,36,37).

What are the key properties of N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?

N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 505.58 g/mol, XLogP of 7.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9-tricyclo[5.3.1.04,9]undecanyl)phenyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 155134137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).