2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione

C17H17N3O2 — CID 69293402

IUPAC2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione
SMILESCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccncc1
InChIInChI=1S/C17H17N3O2/c1-19(12-13-6-8-18-9-7-13)10-11-20-16(21)14-4-2-3-5-15(14)17(20)22/h2-9H,10-12H2,1H3
InChIKeyWHGNZPVBXCEMNW-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.81
Rot. Bonds5

About 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione

2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione (PubChem CID 69293402) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione
PubChem CID69293402
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione
SMILESCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccncc1
InChIInChI=1S/C17H17N3O2/c1-19(12-13-6-8-18-9-7-13)10-11-20-16(21)14-4-2-3-5-15(14)17(20)22/h2-9H,10-12H2,1H3
InChIKeyWHGNZPVBXCEMNW-UHFFFAOYSA-N
XLogP1.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.81
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-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione (CID 69293402) is 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione is CN(CCN1C(=O)c2ccccc2C1=O)Cc1ccncc1.
What is the InChIKey of 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione?
The InChIKey is WHGNZPVBXCEMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-19(12-13-6-8-18-9-7-13)10-11-20-16(21)14-4-2-3-5-15(14)17(20)22/h2-9H,10-12H2,1H3.
What are the key properties of 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione?
2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione has a molecular weight of 295.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 69293402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).