3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid

C11H9N3O3S — CID 113447923

IUPAC3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1ccsc1)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H9N3O3S/c15-10(16)9-8(2-1-4-12-9)14-11(17)13-7-3-5-18-6-7/h1-6H,(H,15,16)(H2,13,14,17)
InChIKeyOBDQMVJNEVFSGK-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.49
Rot. Bonds3

About 3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid

3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 113447923) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID113447923
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1ccsc1)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H9N3O3S/c15-10(16)9-8(2-1-4-12-9)14-11(17)13-7-3-5-18-6-7/h1-6H,(H,15,16)(H2,13,14,17)
InChIKeyOBDQMVJNEVFSGK-UHFFFAOYSA-N
XLogP2.49
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid
CID 104739616
3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195
3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743166
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447864
3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
CID 104740447
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106382731

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid (CID 113447923) is 3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid is O=C(Nc1ccsc1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is OBDQMVJNEVFSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c15-10(16)9-8(2-1-4-12-9)14-11(17)13-7-3-5-18-6-7/h1-6H,(H,15,16)(H2,13,14,17).
What are the key properties of 3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid?
3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 113447923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).