2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione

C17H16N2O3 — CID 146273598

IUPAC2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione
SMILESCOc1ccc(CCCN2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C17H16N2O3/c1-22-15-9-8-12(11-18-15)5-4-10-19-16(20)13-6-2-3-7-14(13)17(19)21/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyXZAXDKSPZFASPJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.32
Rot. Bonds5

About 2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione

2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione (PubChem CID 146273598) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione
PubChem CID146273598
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione
SMILESCOc1ccc(CCCN2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C17H16N2O3/c1-22-15-9-8-12(11-18-15)5-4-10-19-16(20)13-6-2-3-7-14(13)17(19)21/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyXZAXDKSPZFASPJ-UHFFFAOYSA-N
XLogP2.32
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetylene;N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-N'-[(6-methoxy-3-pyridinyl)methyl]methanimidamide;ethane
CID 142962080
[6-(1,3-dioxoisoindol-2-yl)-4-formyl-1-[4-(6-methoxy-3-pyridinyl)phenyl]hexan-3-yl] formate
CID 87300927
methyl (E)-5-[5-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-pyridinyl]pent-4-enoate
CID 142133742
2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
CID 58707349
CID 171374663
CID 171374663
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
CID 11394426
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]isoindole-1,3-dione
CID 2966288
2-[3-[3-(4-methoxybutoxy)phenyl]propyl]isoindole-1,3-dione
CID 67316748
2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5-[4-fluoro-3-(6-methoxy-3-pyridinyl)phenyl]-3-hydroxypentanoic acid
CID 68960984
2-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-2-[2-[4-(6-methoxy-3-pyridinyl)phenyl]ethyl]oxolan-3-yl]ethyl]isoindole-1,3-dione;perchloric acid
CID 160823187

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione (CID 146273598) is 2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione is COc1ccc(CCCN2C(=O)c3ccccc3C2=O)cn1.
What is the InChIKey of 2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione?
The InChIKey is XZAXDKSPZFASPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-15-9-8-12(11-18-15)5-4-10-19-16(20)13-6-2-3-7-14(13)17(19)21/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of 2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione?
2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione has a molecular weight of 296.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 146273598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).