2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate

C18H16N2O5 — CID 2395269

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O5/c1-2-24-15-14(8-5-9-19-15)18(23)25-11-10-20-16(21)12-6-3-4-7-13(12)17(20)22/h3-9H,2,10-11H2,1H3
InChIKeyAYMFRENPABFOCI-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.93
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate (PubChem CID 2395269) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate
PubChem CID2395269
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O5/c1-2-24-15-14(8-5-9-19-15)18(23)25-11-10-20-16(21)12-6-3-4-7-13(12)17(20)22/h3-9H,2,10-11H2,1H3
InChIKeyAYMFRENPABFOCI-UHFFFAOYSA-N
XLogP1.93
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate (CID 2395269) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate?
The InChIKey is AYMFRENPABFOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-2-24-15-14(8-5-9-19-15)18(23)25-11-10-20-16(21)12-6-3-4-7-13(12)17(20)22/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2395269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).