2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane

C24H33ClF3N3O2 — CID 178093408

About 2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane

2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane (PubChem CID 178093408) has the molecular formula C24H33ClF3N3O2 and a molecular weight of 487.99 g/mol. Its IUPAC name is 2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane.

Molecular Properties

• Compound Name: 2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane
• PubChem CID: 178093408
• Molecular Formula: C24H33ClF3N3O2
• Molecular Weight: 487.99 g/mol
• Exact Mass: 487.22
• IUPAC Name: 2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane
• SMILES: CC.CC.CN1CCCC(NC(=O)c2cc(Cl)nc(-c3ccc(OCC(F)(F)F)cc3)c2)C1
• InChI: InChI=1S/C20H21ClF3N3O2.2C2H6/c1-27-8-2-3-15(11-27)25-19(28)14-9-17(26-18(21)10-14)13-4-6-16(7-5-13)29-12-20(22,23)24;2*1-2/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,25,28);2*1-2H3
• InChIKey: PSASKIRWIDWLJC-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.99
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane?

The IUPAC name of 2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane (CID 178093408) is 2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane.

What is the SMILES notation for 2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane?

The canonical SMILES for 2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane is CC.CC.CN1CCCC(NC(=O)c2cc(Cl)nc(-c3ccc(OCC(F)(F)F)cc3)c2)C1.

What is the InChIKey of 2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane?

The InChIKey is PSASKIRWIDWLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O2.2C2H6/c1-27-8-2-3-15(11-27)25-19(28)14-9-17(26-18(21)10-14)13-4-6-16(7-5-13)29-12-20(22,23)24;2*1-2/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,25,28);2*1-2H3.

What are the key properties of 2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane?

2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane has a molecular weight of 487.99 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane is sourced from PubChem (CID 178093408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).