2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide

C16H14F3N5O2 — CID 18126347

About 2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide

2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 18126347) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 18126347
• Molecular Formula: C16H14F3N5O2
• Molecular Weight: 365.32 g/mol
• Exact Mass: 365.11
• IUPAC Name: 2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
• SMILES: CCOc1ncccc1C(=O)NCc1nnc2ccc(C(F)(F)F)cn12
• InChI: InChI=1S/C16H14F3N5O2/c1-2-26-15-11(4-3-7-20-15)14(25)21-8-13-23-22-12-6-5-10(9-24(12)13)16(17,18)19/h3-7,9H,2,8H2,1H3,(H,21,25)
• InChIKey: IJZDBZQCESWIRW-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.32
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide (CID 18126347) is 2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCc1nnc2ccc(C(F)(F)F)cn12.

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

The InChIKey is IJZDBZQCESWIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-2-26-15-11(4-3-7-20-15)14(25)21-8-13-23-22-12-6-5-10(9-24(12)13)16(17,18)19/h3-7,9H,2,8H2,1H3,(H,21,25).

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

2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 18126347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).