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89541-68-4 | 4-Pyridinecarboxamide, N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-
CAS No: 89541-68-4 Catalog No: AG00401W MDL No:
Product Description
Catalog Number:
AG00401W
Chemical Name:
4-Pyridinecarboxamide, N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-
CAS Number:
89541-68-4
Molecular Formula:
C16H12N4O2
Molecular Weight:
292.2921
IUPAC Name:
N-[4-(6-oxo-1H-pyrazin-3-yl)phenyl]pyridine-4-carboxamide
InChI:
InChI=1S/C16H12N4O2/c21-15-10-18-14(9-19-15)11-1-3-13(4-2-11)20-16(22)12-5-7-17-8-6-12/h1-10H,(H,19,21)(H,20,22)
InChI Key:
SGMASNFSMINHOS-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)Nc1ccc(cc1)c1c[nH]c(=O)cn1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.298g/mol
Monoisotopic Mass:
292.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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