AG00IBQR

676500-67-7 | 2-Pyrazinecarboxamide, 5-[2-methoxy-4-[[[2-(tetrahydro-2h-pyran-4-yl)ethyl]amino]methyl]phenoxy]-

AG00IBQR

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CAS Number	676500-67-7
Catalog Number	AG00IBQR(AGN-PC-0WAMH9)
Chemical Name	2-Pyrazinecarboxamide, 5-[2-methoxy-4-[[[2-(tetrahydro-2h-pyran-4-yl)ethyl]amino]methyl]phenoxy]-
IUPAC Name	5-[2-methoxy-4-[[2-(oxan-4-yl)ethylamino]methyl]phenoxy]pyrazine-2-carboxamide
InChI	InChI=1S/C20H26N4O4/c1-26-18-10-15(11-22-7-4-14-5-8-27-9-6-14)2-3-17(18)28-19-13-23-16(12-24-19)20(21)25/h2-3,10,12-14,22H,4-9,11H2,1H3,(H2,21,25)
InChI Key	ZGCYVRNZWGUXNQ-UHFFFAOYSA-N
MDL Number	MFCD26967979
Molecular Formula	C20H26N4O4
Molecular Weight	386.4448
SMILES	O=C(C1=NC=C(OC2=CC=C(CNCCC3CCOCC3)C=C2OC)N=C1)N
UNII	IC58Q2EHPJ
Synonyms	Bevenopran, 676500-67-7, UNII-IC58Q2EHPJ, 5-(2-Methoxy-4-(((2-(tetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)phenoxy)pyrazine-2-carboxamide, IC58Q2EHPJ, 2-PYRAZINECARBOXAMIDE, 5-[2-METHOXY-4-[[[2-(TETRAHYDRO-2H-PYRAN-4-YL)ETHYL]AMINO]METHYL]PHENOXY]-, Bevenopran [USAN:INN], Bevenopran (USAN/INN), SCHEMBL1462219, CHEMBL3039511, KS-00000TGY, DTXSID90217963, ZGCYVRNZWGUXNQ-UHFFFAOYSA-N, CB5945, MFCD26967979, ZINC38896576, AKOS027254823, CB5-945, DB12464, SB16949, AK205674, DS-10418, HY-100122, CS-0018101, A17110, D10349, 5-(2-Methoxy-4-{[2-(tetrahydropyran-4-yl)ethylamino]methyl}phenoxy)pyrazine-2-carboxamide, 2-Pyrazinecarboxamide, 5-(2-methoxy-4-(((2-(tetrahydro-2H-pyran-4- yl)ethyl)amino)methyl)phenoxy)-, 5-(2-Methoxy-4-(((2-(tetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)phenoxy)pyrazine-2- carboxamide, 5-[2-Methoxy-4-[[[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino]methyl]phenoxy]-2-pyrazinecarboxamide, Bevenopran [USAN], CID10452732, 5-[2-methoxy-4-[[2-(oxan-4-yl)ethylamino]methyl]phenoxy]pyrazine-2-carboxamide,

Complexity	475
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	386.195g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	386.452g/mol
Monoisotopic Mass	386.195g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

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