Lenalidomide Impurity 49

CAT: 1299-RM-L141249-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L141249-02Size:25 mg

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CAS Number

827026-44-8

Synonyms

2- (4-nitro-1-oxoisoindolin-2-yl) pentanediamide

Molecular Formula

C13H14N4O5

Molecular Weight

306.27

Target Alternative Name

Lenalidomide

Product Name Synonym

2- (4-nitro-1-oxoisoindolin-2-yl) pentanediamide

Chemical Information

Lenalidomide Impurity 49

CAS Number	827026-44-8
PubChem CID	70206828
IUPAC Name	2-(7-nitro-3-oxo-1H-isoindol-2-yl)pentanediamide
Molecular Formula	C13H14N4O5
Molecular Weight	306.27
XLogP	-1
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	503

SMILES

C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)N1C(CCC(=O)N)C(=O)N

InChI

InChI=1S/C13H14N4O5/c14-11(18)5-4-10(12(15)19)16-6-8-7(13(16)20)2-1-3-9(8)17(21)22/h1-3,10H,4-6H2,(H2,14,18)(H2,15,19)

InChIKey

DWTCYUIQXNXGEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 827026-44-8

CID: 70206828

Formula: C13H14N4O5

MW: 306.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.27
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	306.09641956
Monoisotopic Mass	306.09641956
Topological Polar Surface Area	152 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	503
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes