2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide

C17H18N4O3 — CID 51093050

IUPAC2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCn2nc3ccccn3c2=O)cc1
InChIInChI=1S/C17H18N4O3/c1-24-14-7-5-13(6-8-14)12-16(22)18-9-11-21-17(23)20-10-3-2-4-15(20)19-21/h2-8,10H,9,11-12H2,1H3,(H,18,22)
InChIKeyYQLSCJCJAWGGCV-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.86
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide

2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide (PubChem CID 51093050) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide
PubChem CID51093050
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCn2nc3ccccn3c2=O)cc1
InChIInChI=1S/C17H18N4O3/c1-24-14-7-5-13(6-8-14)12-16(22)18-9-11-21-17(23)20-10-3-2-4-15(20)19-21/h2-8,10H,9,11-12H2,1H3,(H,18,22)
InChIKeyYQLSCJCJAWGGCV-UHFFFAOYSA-N
XLogP0.86
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide (CID 51093050) is 2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide is COc1ccc(CC(=O)NCCn2nc3ccccn3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide?
The InChIKey is YQLSCJCJAWGGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-24-14-7-5-13(6-8-14)12-16(22)18-9-11-21-17(23)20-10-3-2-4-15(20)19-21/h2-8,10H,9,11-12H2,1H3,(H,18,22).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide?
2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide is sourced from PubChem (CID 51093050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).