851788-24-4
2-AMINO-4-[1-CYANO-2-(4-METHOXYPHENYL)VINYL]-6-PIPERIDIN-1-YLPYRIDINE-3,5-DICARBONITRILE
Name2-AMINO-4-[1-CYANO-2-(4-METHOXYPHENYL)VINYL]-6-PIPERIDIN-1-YLPYRIDINE-3,5-DICARBONITRILE
1Identification
【Name】
2-AMINO-4-[1-CYANO-2-(4-METHOXYPHENYL)VINYL]-6-PIPERIDIN-1-YLPYRIDINE-3,5-DICARBONITRILE
【CAS】
【MDL】
MFCD06385607
【English Synonyms】
【Formula】
C22 H20 N6 O
【MolWeight】
384.441
【Inchi】
InChI=1S/C22H20N6O/c1-29-17-7-5-15(6-8-17)11-16(12-23)20-18(13-24)21(26)27-22(19(20)14-25)28-9-3-2-4-10-28/h5-8,11H,2-4,9-10H2,1H3,(H2,26,27)/b16-11+
【InChIKey】
InChIKey=JUXNDZIPTJSQRZ-LFIBNONCSA-N
【SMILES】
COc1ccc(cc1)/C=C(\C#N)/c2c(c(nc(c2C#N)N3CCCCC3)N)C#N
【MOL File】
2-AMINO-4-[1-CYANO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-4-[1-CYANO-2-(4-METHOXYPHENYL)VINYL]-6-PIPERIDIN-1-YLPYRIDINE-3,5-DICARBONITRILE.cml