AG00CJ0L

342417-01-0 | 3-PYRIDINECARBOXAMIDE, 4-(2-METHYLPHENYL)-6-(4-METHYL-1-PIPERAZINYL)-

AG00CJ0L

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CAS Number	342417-01-0
Catalog Number	AG00CJ0L(AGN-PC-00A0PN)
Chemical Name	3-PYRIDINECARBOXAMIDE, 4-(2-METHYLPHENYL)-6-(4-METHYL-1-PIPERAZINYL)-
EC Number	608-960-8
IUPAC Name	4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
InChI	InChI=1S/C18H22N4O/c1-13-5-3-4-6-14(13)15-11-17(20-12-16(15)18(19)23)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H2,19,23)
InChI Key	UQTDFKWGXOVHFZ-UHFFFAOYSA-N
MDL Number	MFCD11113419
Molecular Formula	C18H22N4O
Molecular Weight	310.3935
SMILES	O=C(N)C1=CN=C(N2CCN(C)CC2)C=C1C3=CC=CC=C3C
Synonyms	342417-01-0, 6-(4-methylpiperazin-1-yl)-4-(o-tolyl)nicotinamide, 3-PYRIDINECARBOXAMIDE, 4-(2-METHYLPHENYL)-6-(4-METHYL-1-PIPERAZINYL)-, 4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide, 6-(4-Methylpiperazin-1-yl)-4-(2-methylphenyl)nicotinamide, 6-(4-Methylpiperazin-1-yl)-4-O-tolylnicotinamide, Netupitant ITS-1, SCHEMBL1399329, CTK4H1972, DTXSID30467400, UQTDFKWGXOVHFZ-UHFFFAOYSA-N, 4-(2-methylphenyl)-6-(4-methylpiperazinyl)-3-pyridinecarboxamide, BCP09942, KS-00000TF2, MFCD11113419, AKOS027252843, ZINC116072685, AC-29246, ACM342417010, AK201999, DS-10287, SY060994, CS-0028242, FT-0760090, MFCD11113419 (95%), 6-(4-methylpiperazin-1-yl)-4-o-tolyl-nicotinamide, 6-(4-Methyl-1-piperazinyl)-4-(o-tolyl)nicotinamide, 6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide, 4-(2-Methylphenyl)-6-(4-methylpiperazin-1-yl)nicotinamide, 4-(2-METHYLPHENYL)-6-(4-METHYL-1-PIPERAZINYL)-3-PYRIDINECARBOXAMIDE, 4-(2-METHYLPHENYL)-6-(4-METHYL-1-PIPERAZINYL)-3-PYRIDINECARBOXAMIDE,, ACN-051656, CID11483728,

Complexity	408
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	310.179g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	310.401g/mol
Monoisotopic Mass	310.179g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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