4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid

C9H9N3O4S — CID 79554554

IUPAC4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
SMILESNC(=O)NC(=O)CSc1ccnc(C(=O)O)c1
InChIInChI=1S/C9H9N3O4S/c10-9(16)12-7(13)4-17-5-1-2-11-6(3-5)8(14)15/h1-3H,4H2,(H,14,15)(H3,10,12,13,16)
InChIKeyXGWPSGATRUQXGH-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.07
Rot. Bonds4

About 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid

4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid (PubChem CID 79554554) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
PubChem CID79554554
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
SMILESNC(=O)NC(=O)CSc1ccnc(C(=O)O)c1
InChIInChI=1S/C9H9N3O4S/c10-9(16)12-7(13)4-17-5-1-2-11-6(3-5)8(14)15/h1-3H,4H2,(H,14,15)(H3,10,12,13,16)
InChIKeyXGWPSGATRUQXGH-UHFFFAOYSA-N
XLogP0.07
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554045
4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554887
4-[2-(tert-butylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79561719
4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554641
4-[2-(butylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554876
4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554377
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpyridine-2-carboxylic acid
CID 79554540
3-[(2-carbamoyl-4-pyridinyl)sulfanyl]propanoic acid
CID 43517555
4-but-2-enylsulfanylpyridine-2-carboxylic acid
CID 79554712
4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide
CID 43517675
4-[2-(1-methylimidazol-2-yl)ethylsulfanyl]pyridine-2-carboxylic acid
CID 114527091
N-carbamoyl-2-pyridin-2-ylsulfanylacetamide
CID 5147544

Frequently Asked Questions

What is the IUPAC name of 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid (CID 79554554) is 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid is NC(=O)NC(=O)CSc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid?
The InChIKey is XGWPSGATRUQXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c10-9(16)12-7(13)4-17-5-1-2-11-6(3-5)8(14)15/h1-3H,4H2,(H,14,15)(H3,10,12,13,16).
What are the key properties of 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid?
4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 79554554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).