3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid

C15H10N2O3S — CID 17429875

IUPAC3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)sc2ccccc12)c1ccccn1
InChIInChI=1S/C15H10N2O3S/c18-14(10-6-3-4-8-16-10)17-12-9-5-1-2-7-11(9)21-13(12)15(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKeyIZGQINDUCRJRNE-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.25
Rot. Bonds3

About 3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid

3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid (PubChem CID 17429875) has the molecular formula C15H10N2O3S and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid
PubChem CID17429875
Molecular FormulaC15H10N2O3S
Molecular Weight298.32 g/mol
Exact Mass298.04
IUPAC Name3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)sc2ccccc12)c1ccccn1
InChIInChI=1S/C15H10N2O3S/c18-14(10-6-3-4-8-16-10)17-12-9-5-1-2-7-11(9)21-13(12)15(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKeyIZGQINDUCRJRNE-UHFFFAOYSA-N
XLogP3.25
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid (CID 17429875) is 3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid is O=C(Nc1c(C(=O)O)sc2ccccc12)c1ccccn1.
What is the InChIKey of 3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid?
The InChIKey is IZGQINDUCRJRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3S/c18-14(10-6-3-4-8-16-10)17-12-9-5-1-2-7-11(9)21-13(12)15(19)20/h1-8H,(H,17,18)(H,19,20).
What are the key properties of 3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid?
3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid has a molecular weight of 298.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-2-carbonylamino)-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 17429875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).