AG000KXC

1236699-92-5 | 4-Pyridinecarboxamide, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-

AG000KXC

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CAS Number	1236699-92-5
Catalog Number	AG000KXC(AGN-PC-0O0O5K)
Chemical Name	4-Pyridinecarboxamide, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-
IUPAC Name	N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
InChI	InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1
InChI Key	VIUAUNHCRHHYNE-JTQLQIEISA-N
MDL Number	MFCD16660676
Molecular Formula	C15H15FIN3O3
Molecular Weight	431.2008
SMILES	O=C(NC[C@H](O)CO)C1=CC=NC=C1NC2=CC=C(I)C=C2F
UNII	6ON9RK82AL
Synonyms	AS 703026, AS-703026, AS703026, MSC-1236369B, N-(2,3-dihydroxypropyl)-1-((2-fluoro-4-iodophenyl)amino)isonicotinamide, pimasertib, Pimasertib, 1236699-92-5, AS703026, Pimasertib (AS-703026), AS-703026, MSC1936369B, AS 703026, UNII-6ON9RK82AL, (S)-N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-iodophenylamino)isonicotinamide, 6ON9RK82AL, N-[(2S)-2,3-Dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-4-pyridinecarboxamide, 1204531-26-9, C15H15FIN3O3, 4-Pyridinecarboxamide, N-((2S)-2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)-, N-((2S)-2,3-dihydroxypropyl)-3-((2-fluoro-4-iodophenyl)amino)pyridine-4-carboxamide, N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodo-anilino)pyridine-4-carboxamide, Pimasertib [USAN:INN], 4-Pyridinecarboxamide, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]-, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide, Pimasertib (USAN/INN), MLS006010177, GTPL7872, QCR-17, SCHEMBL2720659, CHEMBL2107832, CHEBI:94793, KS-00000XIZ, DTXSID40152870, EX-A403, SYN1190, N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide, BCPP000386, AOB87391, BCP02094, ABP000603, BDBM50014412, s1475, ZINC38226009, AKOS022186348, BCP9000325, CS-0198, RL01076, SAR 245509, SB16630, EMD 1036239, NCGC00346530-01, AJ-94710, AS-16324, HY-12042, SMR004701285, AB0033701, AS703026,MSC1936369B, AS703026/, FT-0662301, ST24048916, SW219691-1, X7392, D10426, W-5659, J-523298, BRD-K89014967-001-01-9, AS-703026, MSC1936369B, AS703026, Pimasertib [INN], D03CHM, MSC-1936369B, A5573, A10089,

Complexity	391
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	431.014g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	431.206g/mol
Monoisotopic Mass	431.014g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	94.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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