6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid

C12H10N2O3S — CID 43558368

IUPAC6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCc2cccs2)n1
InChIInChI=1S/C12H10N2O3S/c15-11(13-7-8-3-2-6-18-8)9-4-1-5-10(14-9)12(16)17/h1-6H,7H2,(H,13,15)(H,16,17)
InChIKeyLWEWSSCYQFJNNA-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.77
Rot. Bonds4

About 6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid

6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43558368) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43558368
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCc2cccs2)n1
InChIInChI=1S/C12H10N2O3S/c15-11(13-7-8-3-2-6-18-8)9-4-1-5-10(14-9)12(16)17/h1-6H,7H2,(H,13,15)(H,16,17)
InChIKeyLWEWSSCYQFJNNA-UHFFFAOYSA-N
XLogP1.77
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696608
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 110128983
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
4-hydrazinyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 63375383
7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155839386

Frequently Asked Questions

What is the IUPAC name of 6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid (CID 43558368) is 6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCc2cccs2)n1.
What is the InChIKey of 6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is LWEWSSCYQFJNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-11(13-7-8-3-2-6-18-8)9-4-1-5-10(14-9)12(16)17/h1-6H,7H2,(H,13,15)(H,16,17).
What are the key properties of 6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).