AG000WJV

1270138-40-3 | Methanone, [2-[(3-methylbutyl)amino]-3-pyridinyl][4-(phenylmethyl)-1-piperazinyl]-

AG000WJV

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CAS Number	1270138-40-3
Catalog Number	AG000WJV(AGN-PC-0WAJRA)
Chemical Name	Methanone, [2-[(3-methylbutyl)amino]-3-pyridinyl][4-(phenylmethyl)-1-piperazinyl]-
IUPAC Name	(4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyridin-3-yl]methanone
InChI	InChI=1S/C22H30N4O/c1-18(2)10-12-24-21-20(9-6-11-23-21)22(27)26-15-13-25(14-16-26)17-19-7-4-3-5-8-19/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,24)
InChI Key	DYTOQURYRYYNOR-UHFFFAOYSA-N
MDL Number	MFCD26959792
Molecular Formula	C22H30N4O
Molecular Weight	366.4998
SMILES	O=C(N1CCN(CC2=CC=CC=C2)CC1)C3=CC=CN=C3NCCC(C)C
UNII	YVE9U408ZL
Synonyms	(4-benzylpiperazin-1-yl)-(2-(3-methylbutylamino)pyridin-3-yl)methanone, NSI-189, NSI-189 phosphate, NSI-189, 1270138-40-3, (4-benzylpiperazin-1-yl)(2-(isopentylamino)pyridin-3-yl)methanone, UNII-YVE9U408ZL, YVE9U408ZL, NSI 189, (4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyridin-3-yl]methanone, Methanone, (2-((3-methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)-, Methanone, [2-[(3-methylbutyl)amino]-3-pyridinyl][4-(phenylmethyl)-1-piperazinyl]-, NSI189, SCHEMBL9999791, EX-A277, NS189, AOB87795, BCP08748, MFCD26959792, ZINC98023167, AKOS025395148, CS-2029, SB17520, NCGC00371142-05, 4CA-0911, AK199356, AS-19608, BC600399, DA-46482, HY-13999, QC-11403, SC-93118, AB0098426, FT-0700438, Y1438, (4-benzylpiperazin-1-yl)(2-(isopentylamino)pyridin, J-690116, (4-benzylpiperazin-1-yl)-[2-(isopentylamino)-3-pyridyl]methanone, (4-benzylpiperazin-1-yl)(2-(isopentylamino)pyridin-3-yl)methanone (NSI-189), [2-[(3-methylbutyl)amino]-3-pyridinyl][4-(phenylmethyl)-1-piperazinyl]-Methanone, D06VHG, C22H30N4O, DYTOQURYRYYNOR-UHFFFAOYSA-N, ACN-029589, B1150, A13733, 2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzenesulfonamide,

Complexity	442
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	366.242g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	366.509g/mol
Monoisotopic Mass	366.242g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	48.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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