AG008C3Z

875320-29-9 | N1-(2-(1H-Indol-3-yl)ethyl)-n4-(pyridin-4-yl)benzene-1,4-diamine

AG008C3Z

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CAS Number	875320-29-9
Catalog Number	AG008C3Z(AGN-PC-0WAKF7)
Chemical Name	N1-(2-(1H-Indol-3-yl)ethyl)-n4-(pyridin-4-yl)benzene-1,4-diamine
IUPAC Name	N-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
InChI	InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
InChI Key	PAWIYAYFNXQGAP-UHFFFAOYSA-N
MDL Number	MFCD17010272
Molecular Formula	C21H26N6O2
Molecular Weight	394.4701
SMILES	O=C(C1=CN=C(N2CCC(CNCC3=CN(C)C4=C3C=CC=C4)CC2)N=C1)NO
UNII	9BJ85K1J8S
Synonyms	JNJ 26481585, JNJ-26481585, JNJ26481585, quisinostat, QUISINOSTAT, 875320-29-9, JNJ-26481585, N-Hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)piperidin-1-yl)pyrimidine-5-carboxamide, UNII-9BJ85K1J8S, JNJ26481585, 9BJ85K1J8S, Quisinostat (JNJ-26481585), N-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide, N-hydroxy-2-(4-(((1-methyl-1H-indol-3-yl)methylamino)methyl)piperidin-1-yl)pyrimidine-5-carboxamide, 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, N-Hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)-methyl)piperidin-1-yl)pyrimidine-5-carboxamide, Quisinostat [USAN:INN], GOK, JNJ 26481585, Quisinostat (USAN/INN), MLS006011096, GTPL7503, SCHEMBL2360460, CHEMBL2105763, CHEBI:94771, CTK8B9465, DTXSID90236376, JNJ 26481585 dihydrochloride, HMS3654M19, BCP01811, ABP000142, ANW-62564, BDBM50105327, MFCD17010272, ZINC35836133, AKOS016004011, BCP9000803, CS-5065, DB12985, SB16528, NCGC00346487-01, 5-Pyrimidinecarboxamide, N-hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)-1-piperidinyl)-, AC-27415, AJ-92158, AS-16361, HY-15433, SMR004702884, AX8233439, TC-151309, FT-0700499, ST24048574, SW219796-1, X7529, EC-000.2337, D10321, Z-3227, JNJ-26481585/JNJ26481585, BRD-K83837640-001-01-4, JNJ26481585, 875320-29-9, N-Hydroxy-2-(4-((((1-methyl-1H-indol-3-yl)methyl)amino)methyl)piperidin-1-yl)pyrimidine-5-carboxamid, N-hydroxy-2-(4-(((1-methyl-1H-indol-3-yl)methylamino)methyl)piperidin-1-yl)pyrimidine-5-carboxamide dihydrochloride, N-hydroxy-2-[4-({[(1-methylindol-3-yl)methyl]amino}methyl)piperidin-1-yl]pyrimidine-5-carboxamide, Quisinostat [USAN], Quisinostat dihydrochloride, D09XIZ, C21H26N6O2, CID11538455, A4090, A10492, C541788, 875320-31-3, N-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]-1-piperidyl]pyrimidine-5-carboxamide,

Complexity	533
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	394.212g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	394.479g/mol
Monoisotopic Mass	394.212g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	95.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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