N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide

C15H10N4OSe — CID 61274793

IUPACN-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide
SMILESO=C(Nc1cccc2n[se]nc12)c1cccc2[nH]ccc12
InChIInChI=1S/C15H10N4OSe/c20-15(10-3-1-4-11-9(10)7-8-16-11)17-12-5-2-6-13-14(12)19-21-18-13/h1-8,16H,(H,17,20)
InChIKeyJPJBAIGUKNTAIX-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.42
Rot. Bonds2

About N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide

N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide (PubChem CID 61274793) has the molecular formula C15H10N4OSe and a molecular weight of 341.23 g/mol. Its IUPAC name is N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide
PubChem CID61274793
Molecular FormulaC15H10N4OSe
Molecular Weight341.23 g/mol
Exact Mass342.00
IUPAC NameN-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide
SMILESO=C(Nc1cccc2n[se]nc12)c1cccc2[nH]ccc12
InChIInChI=1S/C15H10N4OSe/c20-15(10-3-1-4-11-9(10)7-8-16-11)17-12-5-2-6-13-14(12)19-21-18-13/h1-8,16H,(H,17,20)
InChIKeyJPJBAIGUKNTAIX-UHFFFAOYSA-N
XLogP2.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
CID 60630965
1H-indole-4-carbohydrazide
CID 43316644
N-(2-propylphenyl)-1H-indole-4-carboxamide
CID 61273584
2-fluoro-N-(1H-indol-4-yl)benzamide
CID 110730909
N-(2,6-dichlorophenyl)-1H-indole-4-carboxamide
CID 65499059
N-(1H-indol-4-yl)-1H-indole-7-carboxamide
CID 112526402
2-(2,1,3-benzoselenadiazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615900
N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide
CID 43582943
N-(4-bromo-2-chlorophenyl)-1H-indole-4-carboxamide
CID 43582829
N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide
CID 62512502
N-(5-fluoro-2-methylphenyl)-1H-indole-4-carboxamide
CID 43582640
N-(3,5-difluorophenyl)-1H-indole-4-carboxamide
CID 43582668

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide (CID 61274793) is N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide is O=C(Nc1cccc2n[se]nc12)c1cccc2[nH]ccc12.
What is the InChIKey of N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide?
The InChIKey is JPJBAIGUKNTAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OSe/c20-15(10-3-1-4-11-9(10)7-8-16-11)17-12-5-2-6-13-14(12)19-21-18-13/h1-8,16H,(H,17,20).
What are the key properties of N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide?
N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide has a molecular weight of 341.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 61274793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).