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

C21H20N6O2 — CID 91893339

IUPACN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn23)cc1C
InChIInChI=1S/C21H20N6O2/c1-12-3-4-15(9-13(12)2)20(28)22-11-18-25-24-17-10-16(7-8-27(17)18)21-23-19(26-29-21)14-5-6-14/h3-4,7-10,14H,5-6,11H2,1-2H3,(H,22,28)
InChIKeyLNXOLTTXWBRCNA-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.20
Rot. Bonds5

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

N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide (PubChem CID 91893339) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide
PubChem CID91893339
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn23)cc1C
InChIInChI=1S/C21H20N6O2/c1-12-3-4-15(9-13(12)2)20(28)22-11-18-25-24-17-10-16(7-8-27(17)18)21-23-19(26-29-21)14-5-6-14/h3-4,7-10,14H,5-6,11H2,1-2H3,(H,22,28)
InChIKeyLNXOLTTXWBRCNA-UHFFFAOYSA-N
XLogP3.20
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide with MolForge

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Related Compounds

3-(3-Tert-Butyl[1,2,4]triazolo[4,3-A]pyridin-7-Yl)-N-Cyclopropyl-4-Methylbenzamide
CID 25059320
N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
CID 25054177
3-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 25054452
N-cyclopropyl-3-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-4-methylbenzamide
CID 25059321
N-cyclopropyl-4-methyl-3-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
CID 25059322
3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide
CID 25059576
N-cyclopropyl-3-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide
CID 25060357
N-cyclopropyl-3-fluoro-4-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
CID 25060358
3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 25060359
3-[3-(2-aminopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 25060630
3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 25060634
7-[5-(Cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 25061133

Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide (CID 91893339) is N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn23)cc1C.
What is the InChIKey of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide?
The InChIKey is LNXOLTTXWBRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-12-3-4-15(9-13(12)2)20(28)22-11-18-25-24-17-10-16(7-8-27(17)18)21-23-19(26-29-21)14-5-6-14/h3-4,7-10,14H,5-6,11H2,1-2H3,(H,22,28).
What are the key properties of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide?
N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide has a molecular weight of 388.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 91893339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).