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88210-26-8 | 3-Pyridinecarboxamide, N,N'-[1,3-phenylenebis(methylene)]bis-
CAS No: 88210-26-8 Catalog No: AG004BYD MDL No:
Product Description
Catalog Number:
AG004BYD
Chemical Name:
3-Pyridinecarboxamide, N,N'-[1,3-phenylenebis(methylene)]bis-
CAS Number:
88210-26-8
Molecular Formula:
C20H18N4O2
Molecular Weight:
346.3825
IUPAC Name:
N-[[3-[(pyridine-3-carbonylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
InChI:
InChI=1S/C20H18N4O2/c25-19(17-6-2-8-21-13-17)23-11-15-4-1-5-16(10-15)12-24-20(26)18-7-3-9-22-14-18/h1-10,13-14H,11-12H2,(H,23,25)(H,24,26)
InChI Key:
OTOGIJRAPLKXCW-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)NCc1cccc(c1)CNC(=O)c1cccnc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.39g/mol
Monoisotopic Mass:
346.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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