5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid

C10H14N4O5S — CID 63157529

IUPAC5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H14N4O5S/c1-20(18,19)13-3-2-12-10(17)14-8-4-7(9(15)16)5-11-6-8/h4-6,13H,2-3H2,1H3,(H,15,16)(H2,12,14,17)
InChIKeyLNQVURUYRIVIOI-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.55
Rot. Bonds6

About 5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid

5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid (PubChem CID 63157529) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid
PubChem CID63157529
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid
SMILESCS(=O)(=O)NCCNC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C10H14N4O5S/c1-20(18,19)13-3-2-12-10(17)14-8-4-7(9(15)16)5-11-6-8/h4-6,13H,2-3H2,1H3,(H,15,16)(H2,12,14,17)
InChIKeyLNQVURUYRIVIOI-UHFFFAOYSA-N
XLogP-0.55
TPSA137.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63157485
3-[2-(methanesulfonamido)ethylcarbamoylamino]benzoic acid
CID 61192316
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157813
5-(pent-4-ynylcarbamoylamino)pyridine-3-carboxylic acid
CID 106222767
5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 79361812
1-(4-acetylphenyl)-3-[2-(methanesulfonamido)ethyl]urea
CID 47022405
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
2-chloro-4-[2-(methanesulfonamido)ethylcarbamoylamino]benzoic acid
CID 61399177
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63957326
5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63833702
5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158090

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid (CID 63157529) is 5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid is CS(=O)(=O)NCCNC(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is LNQVURUYRIVIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S/c1-20(18,19)13-3-2-12-10(17)14-8-4-7(9(15)16)5-11-6-8/h4-6,13H,2-3H2,1H3,(H,15,16)(H2,12,14,17).
What are the key properties of 5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid?
5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of -0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).