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

C12H7ClN4OSe — CID 60630965

IUPACN-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1cccc2n[se]nc12)c1cccnc1Cl
InChIInChI=1S/C12H7ClN4OSe/c13-11-7(3-2-6-14-11)12(18)15-8-4-1-5-9-10(8)17-19-16-9/h1-6H,(H,15,18)
InChIKeyWBMYACWJGGHSOP-UHFFFAOYSA-N
MW337.63 g/mol
LogP1.99
Rot. Bonds2

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

N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide (PubChem CID 60630965) has the molecular formula C12H7ClN4OSe and a molecular weight of 337.63 g/mol. Its IUPAC name is N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
PubChem CID60630965
Molecular FormulaC12H7ClN4OSe
Molecular Weight337.63 g/mol
Exact Mass337.95
IUPAC NameN-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
SMILESO=C(Nc1cccc2n[se]nc12)c1cccnc1Cl
InChIInChI=1S/C12H7ClN4OSe/c13-11-7(3-2-6-14-11)12(18)15-8-4-1-5-9-10(8)17-19-16-9/h1-6H,(H,15,18)
InChIKeyWBMYACWJGGHSOP-UHFFFAOYSA-N
XLogP1.99
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.63
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(2,1,3-benzoselenadiazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615900
N-(2,1,3-benzoselenadiazol-4-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62001024
N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide
CID 62955088
N-(2,1,3-benzoselenadiazol-4-yl)-1H-indole-4-carboxamide
CID 61274793
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide
CID 2428874
N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide
CID 62512502
2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
CID 43580726
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide (CID 60630965) is N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide is O=C(Nc1cccc2n[se]nc12)c1cccnc1Cl.
What is the InChIKey of N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide?
The InChIKey is WBMYACWJGGHSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4OSe/c13-11-7(3-2-6-14-11)12(18)15-8-4-1-5-9-10(8)17-19-16-9/h1-6H,(H,15,18).
What are the key properties of N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide?
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide has a molecular weight of 337.63 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 60630965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).