6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid

C13H12N2O3S — CID 55247579

IUPAC6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCCc1ccsc1C(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C13H12N2O3S/c1-2-8-6-7-19-11(8)12(16)15-10-5-3-4-9(14-10)13(17)18/h3-7H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyYXDDVGWXRZIZHY-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.66
Rot. Bonds4

About 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid

6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 55247579) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID55247579
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCCc1ccsc1C(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C13H12N2O3S/c1-2-8-6-7-19-11(8)12(16)15-10-5-3-4-9(14-10)13(17)18/h3-7H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyYXDDVGWXRZIZHY-UHFFFAOYSA-N
XLogP2.66
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid (CID 55247579) is 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid is CCc1ccsc1C(=O)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is YXDDVGWXRZIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-2-8-6-7-19-11(8)12(16)15-10-5-3-4-9(14-10)13(17)18/h3-7H,2H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid?
6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 55247579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).