N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

C21H22N6O2 — CID 53179489

IUPACN-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
SMILESCCc1ccc(NC(=O)Cc2nnc3cc(-c4nc(C(C)C)no4)ccn23)cc1
InChIInChI=1S/C21H22N6O2/c1-4-14-5-7-16(8-6-14)22-19(28)12-18-25-24-17-11-15(9-10-27(17)18)21-23-20(13(2)3)26-29-21/h5-11,13H,4,12H2,1-3H3,(H,22,28)
InChIKeyHNNKMBMQIHDFSA-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.65
Rot. Bonds6

About N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (PubChem CID 53179489) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
PubChem CID53179489
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
SMILESCCc1ccc(NC(=O)Cc2nnc3cc(-c4nc(C(C)C)no4)ccn23)cc1
InChIInChI=1S/C21H22N6O2/c1-4-14-5-7-16(8-6-14)22-19(28)12-18-25-24-17-11-15(9-10-27(17)18)21-23-20(13(2)3)26-29-21/h5-11,13H,4,12H2,1-3H3,(H,22,28)
InChIKeyHNNKMBMQIHDFSA-UHFFFAOYSA-N
XLogP3.65
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-prop-2-enylacetamide
CID 53179506
N-[1-(4-fluorophenyl)ethyl]-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179517
N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179442
2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53179438
N-(4-methylphenyl)-2-[6-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179580
N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclobutanecarboxamide
CID 91893260
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
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
4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 86886639
N-[(4-ethylphenyl)methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489966
1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 110933059
1-propan-2-yl-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56825456

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide (CID 53179489) is N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is CCc1ccc(NC(=O)Cc2nnc3cc(-c4nc(C(C)C)no4)ccn23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
The InChIKey is HNNKMBMQIHDFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-4-14-5-7-16(8-6-14)22-19(28)12-18-25-24-17-11-15(9-10-27(17)18)21-23-20(13(2)3)26-29-21/h5-11,13H,4,12H2,1-3H3,(H,22,28).
What are the key properties of N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide?
N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide has a molecular weight of 390.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 53179489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).