3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide

C21H19N5O2 — CID 67481445

IUPAC3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cccn3nc(Nc4ccccc4OC)nc23)c1
InChIInChI=1S/C21H19N5O2/c1-22-20(27)15-8-5-7-14(13-15)16-9-6-12-26-19(16)24-21(25-26)23-17-10-3-4-11-18(17)28-2/h3-13H,1-2H3,(H,22,27)(H,23,25)
InChIKeyYMOOLOQYGODNRT-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.51
Rot. Bonds5

About 3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide

3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide (PubChem CID 67481445) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide
PubChem CID67481445
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cccn3nc(Nc4ccccc4OC)nc23)c1
InChIInChI=1S/C21H19N5O2/c1-22-20(27)15-8-5-7-14(13-15)16-9-6-12-26-19(16)24-21(25-26)23-17-10-3-4-11-18(17)28-2/h3-13H,1-2H3,(H,22,27)(H,23,25)
InChIKeyYMOOLOQYGODNRT-UHFFFAOYSA-N
XLogP3.51
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide?
The IUPAC name of 3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide (CID 67481445) is 3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide?
The canonical SMILES for 3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2cccn3nc(Nc4ccccc4OC)nc23)c1.
What is the InChIKey of 3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide?
The InChIKey is YMOOLOQYGODNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-22-20(27)15-8-5-7-14(13-15)16-9-6-12-26-19(16)24-21(25-26)23-17-10-3-4-11-18(17)28-2/h3-13H,1-2H3,(H,22,27)(H,23,25).
What are the key properties of 3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide?
3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide has a molecular weight of 373.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N-methylbenzamide is sourced from PubChem (CID 67481445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).