chempirical

6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine

C14H10N2O2CAS 18184-75-3238.25 g/mol

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ONON
AmideLactam

Properties

Molecular formula
C14H10N2O2
Molar mass
238.25 g/mol
Exact mass
238.0742 Da
Melting point
167–168 °C
logP
1.88Crippen estimate
Polar surface area
50.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
18184-75-3
SMILES
O=C1c2cccnc2C(=O)N1Cc1ccccc1
InChIKey
DWUBVULEMQOCPO-UHFFFAOYSA-N
InChI
InChI=1S/C14H10N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2

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Names and synonyms

5 names
  • 6-(Phenylmethyl)-5H-pyrrolo[3,4-B]pyridine-5,7(6H)-dione
  • 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(phenylmethyl)-
  • 2,3-Pyridinedicarboximide, N-benzyl-
  • NSC 151664
  • 6-Benzyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione

Work with 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine

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

Benzylphthalimide2142-01-067 % similar Benzylmaleimide1631-26-144 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-642 % similar N-(Hydroxymethyl)phthalimide118-29-641 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-741 % similar N-(Bromomethyl)phthalimide5332-26-341 % similar Alpha-PhthaliMido-o-toluic acid53663-18-641 % similar 5H,6H,7H,8H,9H-Cyclohepta[b]pyridine-5,9-dione39713-40-140 % similar

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

Same formula

Disperse violet 1128-95-0 1,5-Diaminoanthraquinone129-44-2 2,6-Diaminoanthraquinone131-14-6 1,2-Diaminoanthraquinone1758-68-5 Diphenyl cyanocarbonimidate79463-77-7

Elsewhere

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