5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid

C10H13N3O5S — CID 63157485

IUPAC5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)CCNC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H13N3O5S/c1-19(17,18)3-2-12-10(16)13-8-4-7(9(14)15)5-11-6-8/h4-6H,2-3H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyGKRKJARLLDHMTH-UHFFFAOYSA-N
MW287.30 g/mol
LogP-0.05
Rot. Bonds5

About 5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid

5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid (PubChem CID 63157485) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
PubChem CID63157485
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)CCNC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H13N3O5S/c1-19(17,18)3-2-12-10(16)13-8-4-7(9(14)15)5-11-6-8/h4-6H,2-3H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyGKRKJARLLDHMTH-UHFFFAOYSA-N
XLogP-0.05
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157529
4-(2-methylsulfonylethylcarbamoylamino)benzoic acid
CID 61206132
5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157813
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
5-(pent-4-ynylcarbamoylamino)pyridine-3-carboxylic acid
CID 106222767
5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158090
5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63833702
5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 79361812
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
5-(methylsulfonylmethylsulfonylamino)pyridine-3-carboxylic acid
CID 82838842
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63957326
3-[(5-methoxycarbonyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 122087170

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid (CID 63157485) is 5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid is CS(=O)(=O)CCNC(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid?
The InChIKey is GKRKJARLLDHMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-19(17,18)3-2-12-10(16)13-8-4-7(9(14)15)5-11-6-8/h4-6H,2-3H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid?
5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid has a molecular weight of 287.30 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63157485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).