5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid

C10H14N2O6S — CID 114201546

IUPAC5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid
SMILESCOc1cn(CCCS(N)(=O)=O)c(C(=O)O)cc1=O
InChIInChI=1S/C10H14N2O6S/c1-18-9-6-12(3-2-4-19(11,16)17)7(10(14)15)5-8(9)13/h5-6H,2-4H2,1H3,(H,14,15)(H2,11,16,17)
InChIKeyDCKHXIZKJRVITA-UHFFFAOYSA-N
MW290.30 g/mol
LogP-0.77
Rot. Bonds6

About 5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid

5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid (PubChem CID 114201546) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is 5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid
PubChem CID114201546
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Name5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid
SMILESCOc1cn(CCCS(N)(=O)=O)c(C(=O)O)cc1=O
InChIInChI=1S/C10H14N2O6S/c1-18-9-6-12(3-2-4-19(11,16)17)7(10(14)15)5-8(9)13/h5-6H,2-4H2,1H3,(H,14,15)(H2,11,16,17)
InChIKeyDCKHXIZKJRVITA-UHFFFAOYSA-N
XLogP-0.77
TPSA128.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201547
1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612786
5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid
CID 114201597
5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid
CID 114201516
1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201468
4-bromo-1-[2-(2-methoxyphenyl)ethyl]pyrrole-2-carboxylic acid
CID 106262468
1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201623
4-bromo-1-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxylic acid
CID 114605109
1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644646
1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one
CID 134987125
4-chloro-1-[3-(dimethylamino)propyl]pyrrole-2-carboxylic acid
CID 114603191
4-bromo-1-[2-(2-methoxyethoxy)ethyl]pyrrole-2-carboxylic acid
CID 114604802

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid (CID 114201546) is 5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid is COc1cn(CCCS(N)(=O)=O)c(C(=O)O)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid?
The InChIKey is DCKHXIZKJRVITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c1-18-9-6-12(3-2-4-19(11,16)17)7(10(14)15)5-8(9)13/h5-6H,2-4H2,1H3,(H,14,15)(H2,11,16,17).
What are the key properties of 5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid?
5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid has a molecular weight of 290.30 g/mol, XLogP of -0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114201546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).