2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione

C20H15N3O2 — CID 15843092

IUPAC2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione
SMILESCc1ccnc(-c2cc(CN3C(=O)c4ccccc4C3=O)ccn2)c1
InChIInChI=1S/C20H15N3O2/c1-13-6-8-21-17(10-13)18-11-14(7-9-22-18)12-23-19(24)15-4-2-3-5-16(15)20(23)25/h2-11H,12H2,1H3
InChIKeyZLAOSHCJBMFIPJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.25
Rot. Bonds3

About 2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione

2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 15843092) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID15843092
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione
SMILESCc1ccnc(-c2cc(CN3C(=O)c4ccccc4C3=O)ccn2)c1
InChIInChI=1S/C20H15N3O2/c1-13-6-8-21-17(10-13)18-11-14(7-9-22-18)12-23-19(24)15-4-2-3-5-16(15)20(23)25/h2-11H,12H2,1H3
InChIKeyZLAOSHCJBMFIPJ-UHFFFAOYSA-N
XLogP3.25
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione (CID 15843092) is 2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione is Cc1ccnc(-c2cc(CN3C(=O)c4ccccc4C3=O)ccn2)c1.
What is the InChIKey of 2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is ZLAOSHCJBMFIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-6-8-21-17(10-13)18-11-14(7-9-22-18)12-23-19(24)15-4-2-3-5-16(15)20(23)25/h2-11H,12H2,1H3.
What are the key properties of 2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione?
2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 329.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 15843092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).