200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 439095-50-8
439095-50-8 | 2,6-dihydroxy-5-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-methylpyridine-3-carbonitrile
CAS No: 439095-50-8 Catalog No: AG00IUZW MDL No:MFCD03425792
Product Description
Catalog Number:
AG00IUZW
Chemical Name:
2,6-dihydroxy-5-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-methylpyridine-3-carbonitrile
CAS Number:
439095-50-8
Molecular Formula:
C19H22N4O3
Molecular Weight:
354.4030
MDL Number:
MFCD03425792
IUPAC Name:
6-hydroxy-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C19H22N4O3/c1-13-16(11-20)18(24)21-19(25)17(13)12-22-7-9-23(10-8-22)14-3-5-15(26-2)6-4-14/h3-6H,7-10,12H2,1-2H3,(H2,21,24,25)
InChI Key:
QLAZGSZNTGGSFZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCN(CC1)Cc1c(O)nc(c(c1C)C#N)O
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.169g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.41g/mol
Monoisotopic Mass:
354.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.