(2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide

C17H21N7O3S — CID 129418249

IUPAC(2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(C)=O)C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12
InChIInChI=1S/C17H21N7O3S/c1-10-19-17(27-23-10)12-4-6-24-14(8-12)21-22-15(24)9-18-16(26)13(5-7-28-3)20-11(2)25/h4,6,8,13H,5,7,9H2,1-3H3,(H,18,26)(H,20,25)/t13-/m1/s1
InChIKeyYYMALMPAKNOSSC-CYBMUJFWSA-N
MW403.47 g/mol
LogP0.96
Rot. Bonds8

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

(2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide (PubChem CID 129418249) has the molecular formula C17H21N7O3S and a molecular weight of 403.47 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide
PubChem CID129418249
Molecular FormulaC17H21N7O3S
Molecular Weight403.47 g/mol
Exact Mass403.14
IUPAC Name(2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(C)=O)C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12
InChIInChI=1S/C17H21N7O3S/c1-10-19-17(27-23-10)12-4-6-24-14(8-12)21-22-15(24)9-18-16(26)13(5-7-28-3)20-11(2)25/h4,6,8,13H,5,7,9H2,1-3H3,(H,18,26)(H,20,25)/t13-/m1/s1
InChIKeyYYMALMPAKNOSSC-CYBMUJFWSA-N
XLogP0.96
TPSA127.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
1,3,5-trimethyl-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 91631843
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
2,4-dimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 91631828
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 91631873
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
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
5,7-dimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 91631844
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
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
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide (CID 129418249) is (2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide is CSCC[C@@H](NC(C)=O)C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12.
What is the InChIKey of (2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide?
The InChIKey is YYMALMPAKNOSSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N7O3S/c1-10-19-17(27-23-10)12-4-6-24-14(8-12)21-22-15(24)9-18-16(26)13(5-7-28-3)20-11(2)25/h4,6,8,13H,5,7,9H2,1-3H3,(H,18,26)(H,20,25)/t13-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide?
(2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide has a molecular weight of 403.47 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 129418249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).