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

C16H16N4O2 — CID 47021169

IUPACN-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc3ccccn3c2=O)c1C
InChIInChI=1S/C16H16N4O2/c1-11-6-5-7-13(12(11)2)17-15(21)10-20-16(22)19-9-4-3-8-14(19)18-20/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyYLKWRNOUBVGBRW-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.75
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 47021169) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID47021169
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc3ccccn3c2=O)c1C
InChIInChI=1S/C16H16N4O2/c1-11-6-5-7-13(12(11)2)17-15(21)10-20-16(22)19-9-4-3-8-14(19)18-20/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyYLKWRNOUBVGBRW-UHFFFAOYSA-N
XLogP1.75
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 47021169) is N-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is Cc1cccc(NC(=O)Cn2nc3ccccn3c2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is YLKWRNOUBVGBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-6-5-7-13(12(11)2)17-15(21)10-20-16(22)19-9-4-3-8-14(19)18-20/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of N-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 47021169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).