2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride

C15H14ClN3O2 — CID 19079193

IUPAC2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride
SMILESCl.Nc1ncccc1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H13N3O2.ClH/c16-13-10(4-3-8-17-13)7-9-18-14(19)11-5-1-2-6-12(11)15(18)20;/h1-6,8H,7,9H2,(H2,16,17);1H
InChIKeyZJIXZORQJOHXJE-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.92
Rot. Bonds3

About 2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride

2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride (PubChem CID 19079193) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride
PubChem CID19079193
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride
SMILESCl.Nc1ncccc1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H13N3O2.ClH/c16-13-10(4-3-8-17-13)7-9-18-14(19)11-5-1-2-6-12(11)15(18)20;/h1-6,8H,7,9H2,(H2,16,17);1H
InChIKeyZJIXZORQJOHXJE-UHFFFAOYSA-N
XLogP1.92
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.92
H-Bond Donors ≤ 51
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-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride (CID 19079193) is 2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride is Cl.Nc1ncccc1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride?
The InChIKey is ZJIXZORQJOHXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2.ClH/c16-13-10(4-3-8-17-13)7-9-18-14(19)11-5-1-2-6-12(11)15(18)20;/h1-6,8H,7,9H2,(H2,16,17);1H.
What are the key properties of 2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride?
2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride has a molecular weight of 303.75 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-3-pyridinyl)ethyl]isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 19079193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).