5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione

C24H24FN3O3 — CID 137478093

IUPAC5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione
SMILESCC(C)C(CC1C(=O)NC(=O)N1C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H24FN3O3/c1-13(2)17(12-21-23(30)27-24(31)28(21)3)16-9-10-20(26-22(16)29)15-8-7-14-5-4-6-19(25)18(14)11-15/h4-11,13,17,21H,12H2,1-3H3,(H,26,29)(H,27,30,31)
InChIKeyJGFOJXYVINHAHZ-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.01
Rot. Bonds5

About 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione

5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione (PubChem CID 137478093) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione
PubChem CID137478093
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione
SMILESCC(C)C(CC1C(=O)NC(=O)N1C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H24FN3O3/c1-13(2)17(12-21-23(30)27-24(31)28(21)3)16-9-10-20(26-22(16)29)15-8-7-14-5-4-6-19(25)18(14)11-15/h4-11,13,17,21H,12H2,1-3H3,(H,26,29)(H,27,30,31)
InChIKeyJGFOJXYVINHAHZ-UHFFFAOYSA-N
XLogP4.01
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione (CID 137478093) is 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione is CC(C)C(CC1C(=O)NC(=O)N1C)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is JGFOJXYVINHAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-13(2)17(12-21-23(30)27-24(31)28(21)3)16-9-10-20(26-22(16)29)15-8-7-14-5-4-6-19(25)18(14)11-15/h4-11,13,17,21H,12H2,1-3H3,(H,26,29)(H,27,30,31).
What are the key properties of 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione?
5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 421.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 137478093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).