2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide

C16H16N4O2 — CID 53190730

IUPAC2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccn3nc(C)nc23)c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-6-13(9-11)22-10-15(21)18-14-7-4-8-20-16(14)17-12(2)19-20/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyLSUDKNAEGBENIA-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.36
Rot. Bonds4

About 2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide

2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide (PubChem CID 53190730) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
PubChem CID53190730
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccn3nc(C)nc23)c1
InChIInChI=1S/C16H16N4O2/c1-11-5-3-6-13(9-11)22-10-15(21)18-14-7-4-8-20-16(14)17-12(2)19-20/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyLSUDKNAEGBENIA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide (CID 53190730) is 2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide is Cc1cccc(OCC(=O)Nc2cccn3nc(C)nc23)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
The InChIKey is LSUDKNAEGBENIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-5-3-6-13(9-11)22-10-15(21)18-14-7-4-8-20-16(14)17-12(2)19-20/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of 2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide?
2-(3-methylphenoxy)-N-(2-methyl-[1,2,4]triazolo[1,5-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-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetamide is sourced from PubChem (CID 53190730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).