N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

C27H32F3N3O — CID 46068607

About N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 46068607) has the molecular formula C27H32F3N3O and a molecular weight of 471.57 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 46068607
• Molecular Formula: C27H32F3N3O
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.25
• IUPAC Name: N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)NC2CC3CCC2C3)c(C2CCN(Cc3ccccc3C(F)(F)F)CC2)n1
• InChI: InChI=1S/C27H32F3N3O/c1-17-6-9-22(26(34)32-24-15-18-7-8-20(24)14-18)25(31-17)19-10-12-33(13-11-19)16-21-4-2-3-5-23(21)27(28,29)30/h2-6,9,18-20,24H,7-8,10-16H2,1H3,(H,32,34)
• InChIKey: OPCKRANNUCGBEB-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 46068607) is N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)NC2CC3CCC2C3)c(C2CCN(Cc3ccccc3C(F)(F)F)CC2)n1.

What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is OPCKRANNUCGBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N3O/c1-17-6-9-22(26(34)32-24-15-18-7-8-20(24)14-18)25(31-17)19-10-12-33(13-11-19)16-21-4-2-3-5-23(21)27(28,29)30/h2-6,9,18-20,24H,7-8,10-16H2,1H3,(H,32,34).

What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide?

N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bicyclo[2.2.1]heptanyl)-6-methyl-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46068607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).