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Home Aminos N-(3-aminopyridin-4-yl)benzamide

N-(3-aminopyridin-4-yl)benzamide

CAS No.:
918550-20-6
Catalog Number:
AG01E9UW
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
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Product Description
Catalog Number:
AG01E9UW
Chemical Name:
N-(3-aminopyridin-4-yl)benzamide
CAS Number:
918550-20-6
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
MDL Number:
MFCD17153917
IUPAC Name:
N-(3-aminopyridin-4-yl)benzamide
InChI:
InChI=1S/C12H11N3O/c13-10-8-14-7-6-11(10)15-12(16)9-4-2-1-3-5-9/h1-8H,13H2,(H,14,15,16)
InChI Key:
SZLOJKOWPMPOBH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccncc1N
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Formulating a new basis for the treatment against botulinum neurotoxin intoxication: 3,4-Diaminopyridine prodrug design and characterization. Bioorganic & medicinal chemistry 20111101
Properties