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

C17H21N7O4S — CID 91817927

IUPACN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)C4CCN(S(C)(=O)=O)CC4)nnc3c2)n1
InChIInChI=1S/C17H21N7O4S/c1-11-19-17(28-22-11)13-5-8-24-14(9-13)20-21-15(24)10-18-16(25)12-3-6-23(7-4-12)29(2,26)27/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,18,25)
InChIKeyDOFFOQOWZSRMGX-UHFFFAOYSA-N
MW419.47 g/mol
LogP0.38
Rot. Bonds5

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

N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 91817927) has the molecular formula C17H21N7O4S and a molecular weight of 419.47 g/mol. Its IUPAC name is N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID91817927
Molecular FormulaC17H21N7O4S
Molecular Weight419.47 g/mol
Exact Mass419.14
IUPAC NameN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)C4CCN(S(C)(=O)=O)CC4)nnc3c2)n1
InChIInChI=1S/C17H21N7O4S/c1-11-19-17(28-22-11)13-5-8-24-14(9-13)20-21-15(24)10-18-16(25)12-3-6-23(7-4-12)29(2,26)27/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,18,25)
InChIKeyDOFFOQOWZSRMGX-UHFFFAOYSA-N
XLogP0.38
TPSA135.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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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]cyclobutanecarboxamide
CID 91893260
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
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
(3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 100741554
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-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 91631873
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 91817927) is N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1noc(-c2ccn3c(CNC(=O)C4CCN(S(C)(=O)=O)CC4)nnc3c2)n1.
What is the InChIKey of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DOFFOQOWZSRMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O4S/c1-11-19-17(28-22-11)13-5-8-24-14(9-13)20-21-15(24)10-18-16(25)12-3-6-23(7-4-12)29(2,26)27/h5,8-9,12H,3-4,6-7,10H2,1-2H3,(H,18,25).
What are the key properties of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 419.47 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 91817927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).