5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide

C11H12N4O3S — CID 91796432

IUPAC5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESCSCc1noc(CNC(=O)c2ccc(O)cn2)n1
InChIInChI=1S/C11H12N4O3S/c1-19-6-9-14-10(18-15-9)5-13-11(17)8-3-2-7(16)4-12-8/h2-4,16H,5-6H2,1H3,(H,13,17)
InChIKeyLKHBRMLHCPCYNT-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.96
Rot. Bonds5

About 5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide

5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (PubChem CID 91796432) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
PubChem CID91796432
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESCSCc1noc(CNC(=O)c2ccc(O)cn2)n1
InChIInChI=1S/C11H12N4O3S/c1-19-6-9-14-10(18-15-9)5-13-11(17)8-3-2-7(16)4-12-8/h2-4,16H,5-6H2,1H3,(H,13,17)
InChIKeyLKHBRMLHCPCYNT-UHFFFAOYSA-N
XLogP0.96
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 81316418
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70704975
5-carbamothioyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 63749206
4,6-dimethyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91797993
1-(4-aminocyclohexyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxamide
CID 70779692
3-(3-methoxyphenyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 91796278
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 122556515
1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 72936545
N-[(2-ethylpyrazol-3-yl)methyl]-5-hydroxypyridine-2-carboxamide
CID 154869970
1-(2-chloro-4-fluoro-5-methylphenyl)-3-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 72858536
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 122562885
1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 31224841

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (CID 91796432) is 5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is CSCc1noc(CNC(=O)c2ccc(O)cn2)n1.
What is the InChIKey of 5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The InChIKey is LKHBRMLHCPCYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-19-6-9-14-10(18-15-9)5-13-11(17)8-3-2-7(16)4-12-8/h2-4,16H,5-6H2,1H3,(H,13,17).
What are the key properties of 5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 91796432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).