4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde

C18H16N2O4 — CID 88989076

IUPAC4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nccc(CCCN2C(=O)c3ccccc3C2=O)c1C=O
InChIInChI=1S/C18H16N2O4/c1-24-16-15(11-21)12(8-9-19-16)5-4-10-20-17(22)13-6-2-3-7-14(13)18(20)23/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyOAVXYPLCIWEQEW-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.13
Rot. Bonds6

About 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde

4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde (PubChem CID 88989076) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde
PubChem CID88989076
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nccc(CCCN2C(=O)c3ccccc3C2=O)c1C=O
InChIInChI=1S/C18H16N2O4/c1-24-16-15(11-21)12(8-9-19-16)5-4-10-20-17(22)13-6-2-3-7-14(13)18(20)23/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyOAVXYPLCIWEQEW-UHFFFAOYSA-N
XLogP2.13
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-chloro-8-methoxy-2,7-naphthyridin-3-yl)propyl]isoindole-1,3-dione
CID 58093656
2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione
CID 146273598
4-(1,3-dioxoisoindol-2-yl)butanal;ethane
CID 145335589
2-[2-(8-methoxy-1-oxo-2H-2,7-naphthyridin-3-yl)ethyl]isoindole-1,3-dione
CID 58094405
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
2-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]isoindole-1,3-dione
CID 22936492
4-iodo-2-[3-(2-methyl-3-pyridinyl)propyl]isoindole-1,3-dione
CID 70279116
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906584
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide
CID 55661422
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde (CID 88989076) is 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde is COc1nccc(CCCN2C(=O)c3ccccc3C2=O)c1C=O.
What is the InChIKey of 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde?
The InChIKey is OAVXYPLCIWEQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-16-15(11-21)12(8-9-19-16)5-4-10-20-17(22)13-6-2-3-7-14(13)18(20)23/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde?
4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 324.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 88989076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).