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827587-99-5 | 3-Pyridinecarboxamide, 6-amino-N-[2-(1H-imidazol-4-yl)ethyl]-
CAS No: 827587-99-5 Catalog No: AG004Z0V MDL No:
Product Description
Catalog Number:
AG004Z0V
Chemical Name:
3-Pyridinecarboxamide, 6-amino-N-[2-(1H-imidazol-4-yl)ethyl]-
CAS Number:
827587-99-5
Molecular Formula:
C11H13N5O
Molecular Weight:
231.2538
IUPAC Name:
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide
InChI:
InChI=1S/C11H13N5O/c12-10-2-1-8(5-15-10)11(17)14-4-3-9-6-13-7-16-9/h1-2,5-7H,3-4H2,(H2,12,15)(H,13,16)(H,14,17)
InChI Key:
VFNHKPVVQUZYKS-UHFFFAOYSA-N
SMILES:
Nc1ccc(cn1)C(=O)NCCc1c[nH]cn1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.259g/mol
Monoisotopic Mass:
231.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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