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

C20H20N6O3 — CID 91893287

IUPAC2-methoxy-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCCCc1noc(-c2ccn3c(CNC(=O)c4ccccc4OC)nnc3c2)n1
InChIInChI=1S/C20H20N6O3/c1-3-6-16-22-20(29-25-16)13-9-10-26-17(11-13)23-24-18(26)12-21-19(27)14-7-4-5-8-15(14)28-2/h4-5,7-11H,3,6,12H2,1-2H3,(H,21,27)
InChIKeyZWZPLYZCYRNUSV-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.67
Rot. Bonds7

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

2-methoxy-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 91893287) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-methoxy-N-[[7-(3-propyl-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-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91893287
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name2-methoxy-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCCCc1noc(-c2ccn3c(CNC(=O)c4ccccc4OC)nnc3c2)n1
InChIInChI=1S/C20H20N6O3/c1-3-6-16-22-20(29-25-16)13-9-10-26-17(11-13)23-24-18(26)12-21-19(27)14-7-4-5-8-15(14)28-2/h4-5,7-11H,3,6,12H2,1-2H3,(H,21,27)
InChIKeyZWZPLYZCYRNUSV-UHFFFAOYSA-N
XLogP2.67
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methoxybenzamide
CID 91893254
3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide
CID 91631830
3-fluoro-4-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91631867
3-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893208
2-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817928
N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclobutanecarboxamide
CID 91893260
2-chloro-4-fluoro-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893183
2-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 91893180
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide
CID 91893207
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide
CID 91631866
1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]triazole-4-carboxamide
CID 91631834
1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea
CID 91817942

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[7-(3-propyl-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-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 91893287) is 2-methoxy-N-[[7-(3-propyl-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-propyl-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-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is CCCc1noc(-c2ccn3c(CNC(=O)c4ccccc4OC)nnc3c2)n1.
What is the InChIKey of 2-methoxy-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is ZWZPLYZCYRNUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-3-6-16-22-20(29-25-16)13-9-10-26-17(11-13)23-24-18(26)12-21-19(27)14-7-4-5-8-15(14)28-2/h4-5,7-11H,3,6,12H2,1-2H3,(H,21,27).
What are the key properties of 2-methoxy-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
2-methoxy-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 392.42 g/mol, XLogP of 2.67, 7 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-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 91893287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).