2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide

C23H32ClF3N4O3 — CID 146316190

About 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide

2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 146316190) has the molecular formula C23H32ClF3N4O3 and a molecular weight of 504.98 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 146316190
• Molecular Formula: C23H32ClF3N4O3
• Molecular Weight: 504.98 g/mol
• Exact Mass: 504.21
• IUPAC Name: 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
• SMILES: CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)C3(C(F)(F)F)CCCO3)CC2)nc1Cl
• InChI: InChI=1S/C23H32ClF3N4O3/c1-29(2)20(32)17-7-8-18(28-19(17)24)31-13-9-16(10-14-31)6-4-12-30(3)21(33)22(23(25,26)27)11-5-15-34-22/h7-8,16H,4-6,9-15H2,1-3H3
• InChIKey: ZENPCNJRFGCLKS-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 65.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.98
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	0
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-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide (CID 146316190) is 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(CCCN(C)C(=O)C3(C(F)(F)F)CCCO3)CC2)nc1Cl.

What is the InChIKey of 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?

The InChIKey is ZENPCNJRFGCLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClF3N4O3/c1-29(2)20(32)17-7-8-18(28-19(17)24)31-13-9-16(10-14-31)6-4-12-30(3)21(33)22(23(25,26)27)11-5-15-34-22/h7-8,16H,4-6,9-15H2,1-3H3.

What are the key properties of 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide?

2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 504.98 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146316190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).