2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione

C17H17N3O2 — CID 69293401

IUPAC2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione
SMILESCC(NCCN1C(=O)c2ccccc2C1=O)c1ccncc1
InChIInChI=1S/C17H17N3O2/c1-12(13-6-8-18-9-7-13)19-10-11-20-16(21)14-4-2-3-5-15(14)17(20)22/h2-9,12,19H,10-11H2,1H3
InChIKeyLATKQXMBFXPQAT-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.03
Rot. Bonds5

About 2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione

2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione (PubChem CID 69293401) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione
PubChem CID69293401
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione
SMILESCC(NCCN1C(=O)c2ccccc2C1=O)c1ccncc1
InChIInChI=1S/C17H17N3O2/c1-12(13-6-8-18-9-7-13)19-10-11-20-16(21)14-4-2-3-5-15(14)17(20)22/h2-9,12,19H,10-11H2,1H3
InChIKeyLATKQXMBFXPQAT-UHFFFAOYSA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]ethyl]isoindole-1,3-dione
CID 8639357
2-[3-[1-(2-methylphenyl)ethylamino]propyl]isoindole-1,3-dione
CID 112801132
2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethylamino]ethyl]isoindole-1,3-dione
CID 3090844
2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione
CID 8866970
4-[1-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethyl]-3-fluorobenzonitrile
CID 86814917
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 112761326
(2S)-2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]-3,3-dimethylbutanoic acid
CID 68771693
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(1-phenylethyl)urea
CID 108889374
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
(1R)-N-(2-phenylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 81409534
2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione
CID 24626994
2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 69293402

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione (CID 69293401) is 2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione is CC(NCCN1C(=O)c2ccccc2C1=O)c1ccncc1.
What is the InChIKey of 2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione?
The InChIKey is LATKQXMBFXPQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12(13-6-8-18-9-7-13)19-10-11-20-16(21)14-4-2-3-5-15(14)17(20)22/h2-9,12,19H,10-11H2,1H3.
What are the key properties of 2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione?
2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione has a molecular weight of 295.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 69293401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).