3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide

C10H14N2O3S — CID 104508689

IUPAC3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(CS(C)=O)NC(=O)c1ncccc1O
InChIInChI=1S/C10H14N2O3S/c1-7(6-16(2)15)12-10(14)9-8(13)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3,(H,12,14)
InChIKeySLLWCCZFXSZLFL-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.28
Rot. Bonds4

About 3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide

3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 104508689) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide
PubChem CID104508689
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(CS(C)=O)NC(=O)c1ncccc1O
InChIInChI=1S/C10H14N2O3S/c1-7(6-16(2)15)12-10(14)9-8(13)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3,(H,12,14)
InChIKeySLLWCCZFXSZLFL-UHFFFAOYSA-N
XLogP0.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylsulfinylpropan-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113486653
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54861412
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 54861340
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
3-hydroxy-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 115302635
3-hydroxy-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 60923596
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
3-hydroxypyridine-2-carbohydrazide
CID 45083058
methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide (CID 104508689) is 3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide is CC(CS(C)=O)NC(=O)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is SLLWCCZFXSZLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7(6-16(2)15)12-10(14)9-8(13)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3,(H,12,14).
What are the key properties of 3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide?
3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-methylsulfinylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 104508689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).