6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

C9H9N3O4S — CID 61301472

IUPAC6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESNC(=O)NC(=O)CSc1ccc(C(=O)O)cn1
InChIInChI=1S/C9H9N3O4S/c10-9(16)12-6(13)4-17-7-2-1-5(3-11-7)8(14)15/h1-3H,4H2,(H,14,15)(H3,10,12,13,16)
InChIKeyYJZKEENZMHYIJW-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.07
Rot. Bonds4

About 6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (PubChem CID 61301472) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
PubChem CID61301472
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESNC(=O)NC(=O)CSc1ccc(C(=O)O)cn1
InChIInChI=1S/C9H9N3O4S/c10-9(16)12-6(13)4-17-7-2-1-5(3-11-7)8(14)15/h1-3H,4H2,(H,14,15)(H3,10,12,13,16)
InChIKeyYJZKEENZMHYIJW-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

Analyze 6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304755
6-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylpyridine-3-carboxylic acid
CID 61305115
6-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]sulfanylpyridine-3-carboxylic acid
CID 61304972
6-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61299342
6-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304825
6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 46262434
6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304760
N-carbamoyl-2-pyridin-2-ylsulfanylacetamide
CID 5147544
6-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304778
N-carbamoyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7561697
6-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304933
N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 30028161

Frequently Asked Questions

What is the IUPAC name of 6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (CID 61301472) is 6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is NC(=O)NC(=O)CSc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The InChIKey is YJZKEENZMHYIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c10-9(16)12-6(13)4-17-7-2-1-5(3-11-7)8(14)15/h1-3H,4H2,(H,14,15)(H3,10,12,13,16).
What are the key properties of 6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-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 6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 61301472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).