2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide

C22H27ClF6N4O3 — CID 129145928

About 2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide

2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 129145928) has the molecular formula C22H27ClF6N4O3 and a molecular weight of 544.92 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 129145928
• Molecular Formula: C22H27ClF6N4O3
• Molecular Weight: 544.92 g/mol
• Exact Mass: 544.17
• IUPAC Name: 2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
• SMILES: CN(C)C(=O)c1ccc(N2CCC(C3CCN(C(=O)C(O)(C(F)(F)F)C(F)(F)F)CC3)CC2)nc1Cl
• InChI: InChI=1S/C22H27ClF6N4O3/c1-31(2)18(34)15-3-4-16(30-17(15)23)32-9-5-13(6-10-32)14-7-11-33(12-8-14)19(35)20(36,21(24,25)26)22(27,28)29/h3-4,13-14,36H,5-12H2,1-2H3
• InChIKey: DRODDAORHBYZQV-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 76.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.92
LogP ≤ 5	3.75
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-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide (CID 129145928) is 2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(C3CCN(C(=O)C(O)(C(F)(F)F)C(F)(F)F)CC3)CC2)nc1Cl.

What is the InChIKey of 2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide?

The InChIKey is DRODDAORHBYZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClF6N4O3/c1-31(2)18(34)15-3-4-16(30-17(15)23)32-9-5-13(6-10-32)14-7-11-33(12-8-14)19(35)20(36,21(24,25)26)22(27,28)29/h3-4,13-14,36H,5-12H2,1-2H3.

What are the key properties of 2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide?

2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 544.92 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 129145928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).