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87413-06-7 | 3-Pyridinecarboxamide, 1-(4-cyanophenyl)-1,4-dihydro-
CAS No: 87413-06-7 Catalog No: AG004GEJ MDL No:
Product Description
Catalog Number:
AG004GEJ
Chemical Name:
3-Pyridinecarboxamide, 1-(4-cyanophenyl)-1,4-dihydro-
CAS Number:
87413-06-7
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
1-(4-cyanophenyl)-4H-pyridine-3-carboxamide
InChI:
InChI=1S/C13H11N3O/c14-8-10-3-5-12(6-4-10)16-7-1-2-11(9-16)13(15)17/h1,3-7,9H,2H2,(H2,15,17)
InChI Key:
IKMOUVVWEPTNJI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1C=CCC(=C1)C(=O)N
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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