N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

C11H16N2O3S — CID 103801535

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H16N2O3S/c1-7(9(6-14)17-2)13-11(16)8-3-4-12-10(15)5-8/h3-5,7,9,14H,6H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyMVAUJHDWVSZSPH-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.22
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103801535) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103801535
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H16N2O3S/c1-7(9(6-14)17-2)13-11(16)8-3-4-12-10(15)5-8/h3-5,7,9,14H,6H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyMVAUJHDWVSZSPH-UHFFFAOYSA-N
XLogP0.22
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (CID 103801535) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is CSC(CO)C(C)NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is MVAUJHDWVSZSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(9(6-14)17-2)13-11(16)8-3-4-12-10(15)5-8/h3-5,7,9,14H,6H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103801535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).