3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C19H18N4O4 — CID 167854838

IUPAC3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCCOc1cncc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n1
InChIInChI=1S/C19H18N4O4/c1-2-27-17-9-20-8-14(21-17)11-3-4-13-12(7-11)10-23(19(13)26)15-5-6-16(24)22-18(15)25/h3-4,7-9,15H,2,5-6,10H2,1H3,(H,22,24,25)
InChIKeyDBULLQYYPYLLGK-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.30
Rot. Bonds4

About 3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167854838) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167854838
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCCOc1cncc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n1
InChIInChI=1S/C19H18N4O4/c1-2-27-17-9-20-8-14(21-17)11-3-4-13-12(7-11)10-23(19(13)26)15-5-6-16(24)22-18(15)25/h3-4,7-9,15H,2,5-6,10H2,1H3,(H,22,24,25)
InChIKeyDBULLQYYPYLLGK-UHFFFAOYSA-N
XLogP1.30
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[6-(cyclopentylmethoxy)pyrazin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166427075
3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166427130
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[6-(2-ethyl-1,2,4-triazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167762203
3-(6-isoquinolin-4-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167832472
3-[6-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167935400
3-[6-(5-benzyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174263331
3-[6-(5-cyclopropyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075201
methyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methylpyridine-3-carboxylate
CID 167906136
3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167941117
(3S)-3-[6-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156867503
3-[6-[5-(5-amino-3-pyridinyl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075603

Frequently Asked Questions

What is the IUPAC name of 3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167854838) is 3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CCOc1cncc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n1.
What is the InChIKey of 3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is DBULLQYYPYLLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-2-27-17-9-20-8-14(21-17)11-3-4-13-12(7-11)10-23(19(13)26)15-5-6-16(24)22-18(15)25/h3-4,7-9,15H,2,5-6,10H2,1H3,(H,22,24,25).
What are the key properties of 3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 366.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167854838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).