N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide

C10H12N4OSe — CID 62637659

IUPACN-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cccc2n[se]nc12
InChIInChI=1S/C10H12N4OSe/c1-6(11-2)10(15)12-7-4-3-5-8-9(7)14-16-13-8/h3-6,11H,1-2H3,(H,12,15)
InChIKeyHPHNOMOCEXPSLX-UHFFFAOYSA-N
MW283.19 g/mol
LogP0.23
Rot. Bonds3

About N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide

N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide (PubChem CID 62637659) has the molecular formula C10H12N4OSe and a molecular weight of 283.19 g/mol. Its IUPAC name is N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide
PubChem CID62637659
Molecular FormulaC10H12N4OSe
Molecular Weight283.19 g/mol
Exact Mass284.02
IUPAC NameN-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cccc2n[se]nc12
InChIInChI=1S/C10H12N4OSe/c1-6(11-2)10(15)12-7-4-3-5-8-9(7)14-16-13-8/h3-6,11H,1-2H3,(H,12,15)
InChIKeyHPHNOMOCEXPSLX-UHFFFAOYSA-N
XLogP0.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide
CID 65290319
N-methyl-2,1,3-benzoselenadiazol-4-amine
CID 63091978
N-(2,1,3-benzoselenadiazol-4-yl)-3-(ethylamino)butanamide
CID 62839530
4-amino-5-(2,1,3-benzoselenadiazol-4-ylamino)-5-oxopentanoic acid
CID 64895809
4-[1-(2,1,3-benzoselenadiazol-4-ylamino)ethyl]phenol
CID 43715966
ethyl 4-(2,1,3-benzoselenadiazol-4-ylamino)-4-oxobutanoate
CID 60636239
N-(2,1,3-benzoselenadiazol-4-yl)-4-chlorobutanamide
CID 63307741
5-(2,1,3-benzoselenadiazol-4-ylamino)-5-oxopentanoic acid
CID 60662508
N-(2,1,3-benzoselenadiazol-4-yl)-2-piperazin-1-ylacetamide
CID 54928472
N-(2,1,3-benzoselenadiazol-4-yl)-4-fluoro-3-methylbenzamide
CID 63213096
N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide
CID 62955088
N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide
CID 60843224

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide?
The IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide (CID 62637659) is N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide?
The canonical SMILES for N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1cccc2n[se]nc12.
What is the InChIKey of N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide?
The InChIKey is HPHNOMOCEXPSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OSe/c1-6(11-2)10(15)12-7-4-3-5-8-9(7)14-16-13-8/h3-6,11H,1-2H3,(H,12,15).
What are the key properties of N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide?
N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide has a molecular weight of 283.19 g/mol, XLogP of 0.23, 3 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-(methylamino)propanamide is sourced from PubChem (CID 62637659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).