5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide

C11H16N2O3S — CID 103801487

IUPAC5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cncc(O)c1
InChIInChI=1S/C11H16N2O3S/c1-7(10(6-14)17-2)13-11(16)8-3-9(15)5-12-4-8/h3-5,7,10,14-15H,6H2,1-2H3,(H,13,16)
InChIKeyMLGYHXMFSRZVGE-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.63
Rot. Bonds5

About 5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide

5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 103801487) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
PubChem CID103801487
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cncc(O)c1
InChIInChI=1S/C11H16N2O3S/c1-7(10(6-14)17-2)13-11(16)8-3-9(15)5-12-4-8/h3-5,7,10,14-15H,6H2,1-2H3,(H,13,16)
InChIKeyMLGYHXMFSRZVGE-UHFFFAOYSA-N
XLogP0.63
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
CID 104629795
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985
5-hydroxy-N-propan-2-ylpyridine-3-carboxamide
CID 63864751
5-hydroxy-N-(4-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 115283714
2,6-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103801255
5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 104981468
3-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylbenzamide
CID 103957572
N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 97235379
2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 106156530
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide
CID 106156100
methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate
CID 63860111
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103801419

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide (CID 103801487) is 5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide is CSC(CO)C(C)NC(=O)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is MLGYHXMFSRZVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(10(6-14)17-2)13-11(16)8-3-9(15)5-12-4-8/h3-5,7,10,14-15H,6H2,1-2H3,(H,13,16).
What are the key properties of 5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide?
5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103801487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).