1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione

C16H22N2O3 — CID 71855809

IUPAC1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione
SMILESCCOc1ccc(CN2C(=O)CC(CC)(CC)C2=O)nc1
InChIInChI=1S/C16H22N2O3/c1-4-16(5-2)9-14(19)18(15(16)20)11-12-7-8-13(10-17-12)21-6-3/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyQGSHLUKZIYQVPD-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.55
Rot. Bonds6

About 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione

1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 71855809) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione
PubChem CID71855809
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione
SMILESCCOc1ccc(CN2C(=O)CC(CC)(CC)C2=O)nc1
InChIInChI=1S/C16H22N2O3/c1-4-16(5-2)9-14(19)18(15(16)20)11-12-7-8-13(10-17-12)21-6-3/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyQGSHLUKZIYQVPD-UHFFFAOYSA-N
XLogP2.55
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.55
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

2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10560219
2-Methyl-5-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyridine
CID 44318904
1-[4-[(1-Methylpyrrol-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 828791
Ethyl 2-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 155552304
US10166214, Example 18
CID 86293510
US10858373, Example 53
CID 135238477
US11014912, Example 65
CID 141757260
US10550105, Example 335
CID 154826010
2-Methyl-3-((R)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10560220
N,N-Diethyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-isonicotinamide
CID 44319149
2-(4-Ethoxyphenyl)-8-[(3-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 72204543
8-[(3-Methyl-2-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)-2,8-diazaspiro[4.5]decan-1-one
CID 72204544

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione (CID 71855809) is 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione is CCOc1ccc(CN2C(=O)CC(CC)(CC)C2=O)nc1.
What is the InChIKey of 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is QGSHLUKZIYQVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-16(5-2)9-14(19)18(15(16)20)11-12-7-8-13(10-17-12)21-6-3/h7-8,10H,4-6,9,11H2,1-3H3.
What are the key properties of 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione?
1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethoxy-2-pyridinyl)methyl]-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 71855809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).