5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione

C24H24N2O2 — CID 4536341

IUPAC5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione
SMILESCc1cccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)n1
InChIInChI=1S/C24H24N2O2/c1-14-3-2-4-21(25-14)26-22(27)19-6-5-18(10-20(19)23(26)28)24-11-15-7-16(12-24)9-17(8-15)13-24/h2-6,10,15-17H,7-9,11-13H2,1H3
InChIKeyNAISIVUQSDBSGC-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.66
Rot. Bonds2

About 5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione

5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione (PubChem CID 4536341) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione
PubChem CID4536341
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione
SMILESCc1cccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)n1
InChIInChI=1S/C24H24N2O2/c1-14-3-2-4-21(25-14)26-22(27)19-6-5-18(10-20(19)23(26)28)24-11-15-7-16(12-24)9-17(8-15)13-24/h2-6,10,15-17H,7-9,11-13H2,1H3
InChIKeyNAISIVUQSDBSGC-UHFFFAOYSA-N
XLogP4.66
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione?
The IUPAC name of 5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione (CID 4536341) is 5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione?
The canonical SMILES for 5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione is Cc1cccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)n1.
What is the InChIKey of 5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione?
The InChIKey is NAISIVUQSDBSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-14-3-2-4-21(25-14)26-22(27)19-6-5-18(10-20(19)23(26)28)24-11-15-7-16(12-24)9-17(8-15)13-24/h2-6,10,15-17H,7-9,11-13H2,1H3.
What are the key properties of 5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione?
5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione has a molecular weight of 372.47 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione is sourced from PubChem (CID 4536341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).