N-Octylpyridoglutethimide

C20H30N2O2 — CID 147045

IUPAC3-ethyl-1-octyl-3-pyridin-4-ylpiperidine-2,6-dione
SMILESCCCCCCCCN1C(=O)CCC(C1=O)(CC)C2=CC=NC=C2
InChIInChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3
InChIKeyOORIPAIYDLQOTG-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.30
Rot. Bonds9

About N-Octylpyridoglutethimide

N-Octylpyridoglutethimide (PubChem CID 147045) has the molecular formula C20H30N2O2 and a molecular weight of 330.50 g/mol. Its IUPAC name is 3-ethyl-1-octyl-3-pyridin-4-ylpiperidine-2,6-dione.

Molecular Properties

Compound NameN-Octylpyridoglutethimide
PubChem CID147045
Molecular FormulaC20H30N2O2
Molecular Weight330.50 g/mol
Exact Mass330.23
IUPAC Name3-ethyl-1-octyl-3-pyridin-4-ylpiperidine-2,6-dione
SMILESCCCCCCCCN1C(=O)CCC(C1=O)(CC)C2=CC=NC=C2
InChIInChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3
InChIKeyOORIPAIYDLQOTG-UHFFFAOYSA-N
XLogP4.30
TPSA50.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity418

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cotinine
CID 854019
Disopyramide
CID 3114
(+-)-Cotinine
CID 408
Rogletimide
CID 56487
Vamicamide
CID 65967
C3A receptor agonist
CID 44430519
Disopyramide, (R)-
CID 156294
R-(+)-Cotinine
CID 21907
Ro 23-7637
CID 129491
Disopyramide, (S)-
CID 156295
3,3-dimethyl-1-[(2S)-2-[5-(pyridin-3-yl)pentanoyl]pyrrolidin-1-yl]pentane-1,2-dione
CID 9798888
Sdm-8
CID 138106851

Frequently Asked Questions

What is the IUPAC name of N-Octylpyridoglutethimide?
The IUPAC name of N-Octylpyridoglutethimide (CID 147045) is 3-ethyl-1-octyl-3-pyridin-4-ylpiperidine-2,6-dione.
What is the SMILES notation for N-Octylpyridoglutethimide?
The canonical SMILES for N-Octylpyridoglutethimide is CCCCCCCCN1C(=O)CCC(C1=O)(CC)C2=CC=NC=C2.
What is the InChIKey of N-Octylpyridoglutethimide?
The InChIKey is OORIPAIYDLQOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3.
What are the key properties of N-Octylpyridoglutethimide?
N-Octylpyridoglutethimide has a molecular weight of 330.50 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-Octylpyridoglutethimide is sourced from PubChem (CID 147045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).