5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

C11H14N2O4S — CID 63859452

IUPAC5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2cncc(O)c2)CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O4S/c1-11(2-3-18(16,17)7-11)13-10(15)8-4-9(14)6-12-5-8/h4-6,14H,2-3,7H2,1H3,(H,13,15)
InChIKeyZSLWGXPLNCAVHY-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.09
Rot. Bonds2

About 5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 63859452) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID63859452
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2cncc(O)c2)CCS(=O)(=O)C1
InChIInChI=1S/C11H14N2O4S/c1-11(2-3-18(16,17)7-11)13-10(15)8-4-9(14)6-12-5-8/h4-6,14H,2-3,7H2,1H3,(H,13,15)
InChIKeyZSLWGXPLNCAVHY-UHFFFAOYSA-N
XLogP0.09
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
5-[(4-fluorophenyl)methyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 124958838
2,6-dibromo-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-4-carboxamide
CID 140870093
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-methylsulfanylbenzamide
CID 30415077
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599
2-N,4-N-bis(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2,4-dicarboxamide
CID 166181280
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
N-(3-methyl-1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide
CID 112733233
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide
CID 30583271

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (CID 63859452) is 5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is CC1(NC(=O)c2cncc(O)c2)CCS(=O)(=O)C1.
What is the InChIKey of 5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is ZSLWGXPLNCAVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-11(2-3-18(16,17)7-11)13-10(15)8-4-9(14)6-12-5-8/h4-6,14H,2-3,7H2,1H3,(H,13,15).
What are the key properties of 5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 63859452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).