2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide

C16H16N4O2 — CID 53166317

IUPAC2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccn3c(C)nnc23)c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-6-13(9-11)22-10-15(21)17-14-7-4-8-20-12(2)18-19-16(14)20/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyVQCMQTJESBHGOL-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.36
Rot. Bonds4

About 2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide

2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide (PubChem CID 53166317) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide
PubChem CID53166317
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccn3c(C)nnc23)c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-6-13(9-11)22-10-15(21)17-14-7-4-8-20-12(2)18-19-16(14)20/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyVQCMQTJESBHGOL-UHFFFAOYSA-N
XLogP2.36
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide (CID 53166317) is 2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide is Cc1cccc(OCC(=O)Nc2cccn3c(C)nnc23)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
The InChIKey is VQCMQTJESBHGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-5-3-6-13(9-11)22-10-15(21)17-14-7-4-8-20-12(2)18-19-16(14)20/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of 2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide is sourced from PubChem (CID 53166317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).