N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide

C11H12N4OSe — CID 60843224

IUPACN-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)Nc1cccc2n[se]nc12
InChIInChI=1S/C11H12N4OSe/c16-10(6-12-7-4-5-7)13-8-2-1-3-9-11(8)15-17-14-9/h1-3,7,12H,4-6H2,(H,13,16)
InChIKeyAQMHFJOQKUJXPE-UHFFFAOYSA-N
MW295.20 g/mol
LogP0.38
Rot. Bonds4

About N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide

N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide (PubChem CID 60843224) has the molecular formula C11H12N4OSe and a molecular weight of 295.20 g/mol. Its IUPAC name is N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide
PubChem CID60843224
Molecular FormulaC11H12N4OSe
Molecular Weight295.20 g/mol
Exact Mass296.02
IUPAC NameN-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)Nc1cccc2n[se]nc12
InChIInChI=1S/C11H12N4OSe/c16-10(6-12-7-4-5-7)13-8-2-1-3-9-11(8)15-17-14-9/h1-3,7,12H,4-6H2,(H,13,16)
InChIKeyAQMHFJOQKUJXPE-UHFFFAOYSA-N
XLogP0.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide?
The IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide (CID 60843224) is N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide is O=C(CNC1CC1)Nc1cccc2n[se]nc12.
What is the InChIKey of N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide?
The InChIKey is AQMHFJOQKUJXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OSe/c16-10(6-12-7-4-5-7)13-8-2-1-3-9-11(8)15-17-14-9/h1-3,7,12H,4-6H2,(H,13,16).
What are the key properties of N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide?
N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide has a molecular weight of 295.20 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 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-(cyclopropylamino)acetamide is sourced from PubChem (CID 60843224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).