2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

C18H16N6O3 — CID 91893209

IUPAC2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12
InChIInChI=1S/C18H16N6O3/c1-11-20-18(27-23-11)12-7-8-24-15(9-12)21-22-16(24)10-19-17(25)13-5-3-4-6-14(13)26-2/h3-9H,10H2,1-2H3,(H,19,25)
InChIKeyFUQYLKTYFWUDFS-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.03
Rot. Bonds5

About 2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 91893209) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91893209
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12
InChIInChI=1S/C18H16N6O3/c1-11-20-18(27-23-11)12-7-8-24-15(9-12)21-22-16(24)10-19-17(25)13-5-3-4-6-14(13)26-2/h3-9H,10H2,1-2H3,(H,19,25)
InChIKeyFUQYLKTYFWUDFS-UHFFFAOYSA-N
XLogP2.03
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide 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-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 91893209) is 2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is COc1ccccc1C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12.
What is the InChIKey of 2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is FUQYLKTYFWUDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-11-20-18(27-23-11)12-7-8-24-15(9-12)21-22-16(24)10-19-17(25)13-5-3-4-6-14(13)26-2/h3-9H,10H2,1-2H3,(H,19,25).
What are the key properties of 2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 364.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 91893209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).