N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

C16H20F3N5O — CID 53202994

About N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (PubChem CID 53202994) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
• PubChem CID: 53202994
• Molecular Formula: C16H20F3N5O
• Molecular Weight: 355.36 g/mol
• Exact Mass: 355.16
• IUPAC Name: N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
• SMILES: CCCNC(=O)C1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1
• InChI: InChI=1S/C16H20F3N5O/c1-2-7-20-14(25)11-4-3-8-23(9-11)15-22-21-13-6-5-12(10-24(13)15)16(17,18)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,25)
• InChIKey: BTIFBWJLFBAETJ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.36
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

The IUPAC name of N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (CID 53202994) is N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

The canonical SMILES for N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1.

What is the InChIKey of N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

The InChIKey is BTIFBWJLFBAETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-2-7-20-14(25)11-4-3-8-23(9-11)15-22-21-13-6-5-12(10-24(13)15)16(17,18)19/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,25).

What are the key properties of N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?

N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53202994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).