N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide

C21H18ClF3N4O2S — CID 55931025

About N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide (PubChem CID 55931025) has the molecular formula C21H18ClF3N4O2S and a molecular weight of 482.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide
• PubChem CID: 55931025
• Molecular Formula: C21H18ClF3N4O2S
• Molecular Weight: 482.92 g/mol
• Exact Mass: 482.08
• IUPAC Name: N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide
• SMILES: Cc1c(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)sc2nc(C(F)(F)F)ccc12
• InChI: InChI=1S/C21H18ClF3N4O2S/c1-11-14-5-6-15(21(23,24)25)27-19(14)32-17(11)20(31)29-8-2-3-12(10-29)18(30)28-16-7-4-13(22)9-26-16/h4-7,9,12H,2-3,8,10H2,1H3,(H,26,28,30)
• InChIKey: USBYNHMPIWTVSY-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.92
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide (CID 55931025) is N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide is Cc1c(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)sc2nc(C(F)(F)F)ccc12.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide?

The InChIKey is USBYNHMPIWTVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O2S/c1-11-14-5-6-15(21(23,24)25)27-19(14)32-17(11)20(31)29-8-2-3-12(10-29)18(30)28-16-7-4-13(22)9-26-16/h4-7,9,12H,2-3,8,10H2,1H3,(H,26,28,30).

What are the key properties of N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide?

N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 482.92 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 55931025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).