2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione

C19H20N2O4 — CID 164570831

IUPAC2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione
SMILESCOCCCn1cccc(CCN2C(=O)c3ccccc3C2=O)c1=O
InChIInChI=1S/C19H20N2O4/c1-25-13-5-11-20-10-4-6-14(17(20)22)9-12-21-18(23)15-7-2-3-8-16(15)19(21)24/h2-4,6-8,10H,5,9,11-13H2,1H3
InChIKeyLYBURJGEEACLCM-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.72
Rot. Bonds7

About 2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione

2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione (PubChem CID 164570831) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione
PubChem CID164570831
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione
SMILESCOCCCn1cccc(CCN2C(=O)c3ccccc3C2=O)c1=O
InChIInChI=1S/C19H20N2O4/c1-25-13-5-11-20-10-4-6-14(17(20)22)9-12-21-18(23)15-7-2-3-8-16(15)19(21)24/h2-4,6-8,10H,5,9,11-13H2,1H3
InChIKeyLYBURJGEEACLCM-UHFFFAOYSA-N
XLogP1.72
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526375
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526386
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]isoindole-1,3-dione
CID 162236502
3-(1,3-dioxoisoindol-2-yl)propyl 2-methoxyacetate
CID 110495069
2-[3-[3-(4-methoxybutoxy)phenyl]propyl]isoindole-1,3-dione
CID 67316748
4-amino-2-(3-methoxypropyl)isoindole-1,3-dione
CID 43153305
3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one
CID 82526709
2-(3-methoxypropyl)-4H-isoquinoline-1,3-dione
CID 20551260
3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one
CID 107017511
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
CID 110417982

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione (CID 164570831) is 2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione is COCCCn1cccc(CCN2C(=O)c3ccccc3C2=O)c1=O.
What is the InChIKey of 2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione?
The InChIKey is LYBURJGEEACLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-25-13-5-11-20-10-4-6-14(17(20)22)9-12-21-18(23)15-7-2-3-8-16(15)19(21)24/h2-4,6-8,10H,5,9,11-13H2,1H3.
What are the key properties of 2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione?
2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione has a molecular weight of 340.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 164570831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).