Lenalidomide

C₁₃H₁₃N₃O₃CAS 191732-72-6259.26 g/mol

Open in Covalent MOL file

Amide Lactam Primary amine

Properties

Molecular formula: C₁₃H₁₃N₃O₃
Molar mass: 259.26 g/mol
Exact mass: 259.0957 Da
logP: 0.87Crippen estimate
Polar surface area: 96.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed10% of notifiers
H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H332 Harmful if inhaled15% of notifiers
H360 May damage fertility or the unborn child85% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure70% of notifiers

Aggregated from 20 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

191732-72-6

SMILES

Nc1cccc2c1CN(C1CCC(O)=NC1=O)C2=O

InChIKey

GOTYRUGSSMKFNF-UHFFFAOYSA-N

InChI

InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-
3-(4-Amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione
Revimid
CC 5013
CDC 501
Revlimid
1-Oxo-4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole
3-(4-Amino-1-oxoisoindolin-2-yl)piperidin-2,6-dione
ENMD 0997
IMiD 3
revlMiD

Work with Lenalidomide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pomalidomide19171-19-865 % similar Thalidomide50-35-158 % similar 3-Amino-2,6-piperidinedione2353-44-839 % similar 3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione827026-45-938 % similar 3-Aminophthalimide2518-24-336 % similar 4-Amino-2,3-dihydro-1H-isoindol-1-one366452-98-435 % similar 2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)pentanedioic acid2301-52-233 % similar N-Phthaloyl-L-glutamic acid340-90-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Benzoyl-L-histidine5354-94-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook