6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C23H28ClF3N4O — CID 69355064

About 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 69355064) has the molecular formula C23H28ClF3N4O and a molecular weight of 468.95 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 69355064
• Molecular Formula: C23H28ClF3N4O
• Molecular Weight: 468.95 g/mol
• Exact Mass: 468.19
• IUPAC Name: 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: CC1(C)CC(CNC(=O)c2cnc(Nc3cccc(Cl)c3)cc2C(F)(F)F)CC(C)(C)N1
• InChI: InChI=1S/C23H28ClF3N4O/c1-21(2)10-14(11-22(3,4)31-21)12-29-20(32)17-13-28-19(9-18(17)23(25,26)27)30-16-7-5-6-15(24)8-16/h5-9,13-14,31H,10-12H2,1-4H3,(H,28,30)(H,29,32)
• InChIKey: MTVHMHOPLMBKLJ-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 66.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.95
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 69355064) is 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is CC1(C)CC(CNC(=O)c2cnc(Nc3cccc(Cl)c3)cc2C(F)(F)F)CC(C)(C)N1.

What is the InChIKey of 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is MTVHMHOPLMBKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClF3N4O/c1-21(2)10-14(11-22(3,4)31-21)12-29-20(32)17-13-28-19(9-18(17)23(25,26)27)30-16-7-5-6-15(24)8-16/h5-9,13-14,31H,10-12H2,1-4H3,(H,28,30)(H,29,32).

What are the key properties of 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?

6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 468.95 g/mol, XLogP of 5.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chloroanilino)-N-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 69355064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).