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14621-02-4 | 4-Pyridinecarboxamide, N-(4-methoxyphenyl)-
CAS No: 14621-02-4 Catalog No: AG001DSJ MDL No:
Product Description
Catalog Number:
AG001DSJ
Chemical Name:
4-Pyridinecarboxamide, N-(4-methoxyphenyl)-
CAS Number:
14621-02-4
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
N-(4-methoxyphenyl)pyridine-4-carboxamide
InChI:
InChI=1S/C13H12N2O2/c1-17-12-4-2-11(3-5-12)15-13(16)10-6-8-14-9-7-10/h2-9H,1H3,(H,15,16)
InChI Key:
LVERVLNIJMUPKJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)c1ccncc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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