2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C24H34ClF3N4O3 — CID 129146152

About 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 129146152) has the molecular formula C24H34ClF3N4O3 and a molecular weight of 519.01 g/mol. Its IUPAC name is 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
• PubChem CID: 129146152
• Molecular Formula: C24H34ClF3N4O3
• Molecular Weight: 519.01 g/mol
• Exact Mass: 518.23
• IUPAC Name: 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
• SMILES: CC(C)[C@@](O)(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(Cl)n3)CC2)CC1)C(F)(F)F
• InChI: InChI=1S/C24H34ClF3N4O3/c1-15(2)23(35,24(26,27)28)22(34)32-13-9-17(10-14-32)16-7-11-31(12-8-16)19-6-5-18(20(25)29-19)21(33)30(3)4/h5-6,15-17,35H,7-14H2,1-4H3/t23-/m1/s1
• InChIKey: NJSIEMCAVZCKOW-HSZRJFAPSA-N
• XLogP: 3.84
• TPSA: 76.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.01
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The IUPAC name of 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 129146152) is 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The canonical SMILES for 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CC(C)[C@@](O)(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(Cl)n3)CC2)CC1)C(F)(F)F.

What is the InChIKey of 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

The InChIKey is NJSIEMCAVZCKOW-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H34ClF3N4O3/c1-15(2)23(35,24(26,27)28)22(34)32-13-9-17(10-14-32)16-7-11-31(12-8-16)19-6-5-18(20(25)29-19)21(33)30(3)4/h5-6,15-17,35H,7-14H2,1-4H3/t23-/m1/s1.

What are the key properties of 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?

2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 519.01 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 129146152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).