2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide

C14H10N2O2S — CID 12799387

IUPAC2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccccn1)C1C(=O)Sc2ccccc21
InChIInChI=1S/C14H10N2O2S/c17-13(16-11-7-3-4-8-15-11)12-9-5-1-2-6-10(9)19-14(12)18/h1-8,12H,(H,15,16,17)
InChIKeyDOWVSSUOIQOKJB-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.44
Rot. Bonds2

About 2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide

2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide (PubChem CID 12799387) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide
PubChem CID12799387
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccccn1)C1C(=O)Sc2ccccc21
InChIInChI=1S/C14H10N2O2S/c17-13(16-11-7-3-4-8-15-11)12-9-5-1-2-6-10(9)19-14(12)18/h1-8,12H,(H,15,16,17)
InChIKeyDOWVSSUOIQOKJB-UHFFFAOYSA-N
XLogP2.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(15R,16S)-16-methyl-N-pyridin-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 10903934
2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide
CID 54150909
(2S)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 95133563
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 110692246
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 141282806
(3S,4R)-2-methyl-1-oxo-3-phenyl-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 51718468
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
2-(2,3-dihydro-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 110753861
(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide (CID 12799387) is 2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide is O=C(Nc1ccccn1)C1C(=O)Sc2ccccc21.
What is the InChIKey of 2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide?
The InChIKey is DOWVSSUOIQOKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-13(16-11-7-3-4-8-15-11)12-9-5-1-2-6-10(9)19-14(12)18/h1-8,12H,(H,15,16,17).
What are the key properties of 2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide?
2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pyridin-2-yl-3H-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 12799387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).