3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide

C16H15N5O2 — CID 25129024

IUPAC3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3nc(NC(C)=O)nn3c2)c1
InChIInChI=1S/C16H15N5O2/c1-10(22)18-16-19-14-7-6-13(9-21(14)20-16)11-4-3-5-12(8-11)15(23)17-2/h3-9H,1-2H3,(H,17,23)(H,18,20,22)
InChIKeyYMSXIPTVYHZKHX-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.71
Rot. Bonds3

About 3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide

3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide (PubChem CID 25129024) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide
PubChem CID25129024
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc3nc(NC(C)=O)nn3c2)c1
InChIInChI=1S/C16H15N5O2/c1-10(22)18-16-19-14-7-6-13(9-21(14)20-16)11-4-3-5-12(8-11)15(23)17-2/h3-9H,1-2H3,(H,17,23)(H,18,20,22)
InChIKeyYMSXIPTVYHZKHX-UHFFFAOYSA-N
XLogP1.71
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide?
The IUPAC name of 3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide (CID 25129024) is 3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide.
What is the SMILES notation for 3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide?
The canonical SMILES for 3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc3nc(NC(C)=O)nn3c2)c1.
What is the InChIKey of 3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide?
The InChIKey is YMSXIPTVYHZKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10(22)18-16-19-14-7-6-13(9-21(14)20-16)11-4-3-5-12(8-11)15(23)17-2/h3-9H,1-2H3,(H,17,23)(H,18,20,22).
What are the key properties of 3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide?
3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide has a molecular weight of 309.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-methylbenzamide is sourced from PubChem (CID 25129024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).