5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid

C12H14N2O3S — CID 80594022

IUPAC5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)C2CCCCS2)c1
InChIInChI=1S/C12H14N2O3S/c15-11(10-3-1-2-4-18-10)14-9-5-8(12(16)17)6-13-7-9/h5-7,10H,1-4H2,(H,14,15)(H,16,17)
InChIKeyACSBIAZHVPZBFH-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.00
Rot. Bonds3

About 5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid

5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid (PubChem CID 80594022) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid
PubChem CID80594022
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)C2CCCCS2)c1
InChIInChI=1S/C12H14N2O3S/c15-11(10-3-1-2-4-18-10)14-9-5-8(12(16)17)6-13-7-9/h5-7,10H,1-4H2,(H,14,15)(H,16,17)
InChIKeyACSBIAZHVPZBFH-UHFFFAOYSA-N
XLogP2.00
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 104913917
N-(5-bromo-6-chloro-3-pyridinyl)thiane-2-carboxamide
CID 104624709
5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid
CID 63154190
2-hydroxy-5-(thiane-2-carbonylamino)benzoic acid
CID 80593678
2,3-dimethyl-5-(thiane-2-carbonylamino)benzoic acid
CID 80594176
2-[4-(thiane-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 80594673
5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63833702
N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide
CID 103745323
N-[4-(hydroxymethyl)phenyl]thiane-2-carboxamide
CID 80595530
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157586
5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157950
5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63157945

Frequently Asked Questions

What is the IUPAC name of 5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid (CID 80594022) is 5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)C2CCCCS2)c1.
What is the InChIKey of 5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid?
The InChIKey is ACSBIAZHVPZBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-11(10-3-1-2-4-18-10)14-9-5-8(12(16)17)6-13-7-9/h5-7,10H,1-4H2,(H,14,15)(H,16,17).
What are the key properties of 5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid?
5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiane-2-carbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 80594022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).