2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride

C17H17ClN4O3 — CID 135261941

IUPAC2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2ccc(N3CCNCC3)cc2C(=O)N1c1ccc(=O)[nH]c1
InChIInChI=1S/C17H16N4O3.ClH/c22-15-4-2-12(10-19-15)21-16(23)13-3-1-11(9-14(13)17(21)24)20-7-5-18-6-8-20;/h1-4,9-10,18H,5-8H2,(H,19,22);1H
InChIKeyCAHKHOONYGAVKZ-UHFFFAOYSA-N
MW360.80 g/mol
LogP1.01
Rot. Bonds2

About 2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride

2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride (PubChem CID 135261941) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride
PubChem CID135261941
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2ccc(N3CCNCC3)cc2C(=O)N1c1ccc(=O)[nH]c1
InChIInChI=1S/C17H16N4O3.ClH/c22-15-4-2-12(10-19-15)21-16(23)13-3-1-11(9-14(13)17(21)24)20-7-5-18-6-8-20;/h1-4,9-10,18H,5-8H2,(H,19,22);1H
InChIKeyCAHKHOONYGAVKZ-UHFFFAOYSA-N
XLogP1.01
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride (CID 135261941) is 2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride is Cl.O=C1c2ccc(N3CCNCC3)cc2C(=O)N1c1ccc(=O)[nH]c1.
What is the InChIKey of 2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride?
The InChIKey is CAHKHOONYGAVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3.ClH/c22-15-4-2-12(10-19-15)21-16(23)13-3-1-11(9-14(13)17(21)24)20-7-5-18-6-8-20;/h1-4,9-10,18H,5-8H2,(H,19,22);1H.
What are the key properties of 2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride?
2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride has a molecular weight of 360.80 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1H-pyridin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 135261941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).