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

C12H10N2O3S — CID 3237026

IUPAC3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCc1cccs1)c1cccnc1C(=O)O
InChIInChI=1S/C12H10N2O3S/c15-11(14-7-8-3-2-6-18-8)9-4-1-5-13-10(9)12(16)17/h1-6H,7H2,(H,14,15)(H,16,17)
InChIKeyFYAVAWBNIOPAAC-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.77
Rot. Bonds4

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

3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 3237026) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID3237026
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NCc1cccs1)c1cccnc1C(=O)O
InChIInChI=1S/C12H10N2O3S/c15-11(14-7-8-3-2-6-18-8)9-4-1-5-13-10(9)12(16)17/h1-6H,7H2,(H,14,15)(H,16,17)
InChIKeyFYAVAWBNIOPAAC-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

2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 4998221
2-[2-(benzenesulfinyl)ethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 68727895
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441150
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 42691375
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 46084493
2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 143453857
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide
CID 92760411

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid (CID 3237026) is 3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid is O=C(NCc1cccs1)c1cccnc1C(=O)O.
What is the InChIKey of 3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is FYAVAWBNIOPAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-11(14-7-8-3-2-6-18-8)9-4-1-5-13-10(9)12(16)17/h1-6H,7H2,(H,14,15)(H,16,17).
What are the key properties of 3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
3-(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 3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 3237026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).