2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione

C14H9N3O2 — CID 901062

IUPAC2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N=Cc1ccccn1
InChIInChI=1S/C14H9N3O2/c18-13-11-6-1-2-7-12(11)14(19)17(13)16-9-10-5-3-4-8-15-10/h1-9H
InChIKeyQYPZLFYRCFTZES-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.71
Rot. Bonds2

About 2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione

2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione (PubChem CID 901062) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione
PubChem CID901062
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N=Cc1ccccn1
InChIInChI=1S/C14H9N3O2/c18-13-11-6-1-2-7-12(11)14(19)17(13)16-9-10-5-3-4-8-15-10/h1-9H
InChIKeyQYPZLFYRCFTZES-UHFFFAOYSA-N
XLogP1.71
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione
CID 9212085
2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione
CID 6909855
iron(2+);bis((2R)-2-pyridin-2-yl-3-[(E)-pyridin-2-ylmethylideneamino]-1,2-dihydroquinazolin-4-one);ditetrafluoroborate
CID 139177349
2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione
CID 5394460
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570
(3Z)-2-phenyl-3-(pyridin-2-ylmethylidene)isoindol-1-one
CID 102347738
2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione
CID 2305885
3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 67574475
2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5332496
(3E)-1-propyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
CID 9460349

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione?
The IUPAC name of 2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione (CID 901062) is 2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione.
What is the SMILES notation for 2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione?
The canonical SMILES for 2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1N=Cc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione?
The InChIKey is QYPZLFYRCFTZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-13-11-6-1-2-7-12(11)14(19)17(13)16-9-10-5-3-4-8-15-10/h1-9H.
What are the key properties of 2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione?
2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione has a molecular weight of 251.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione is sourced from PubChem (CID 901062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).