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

C23H22FN3O3 — CID 137477755

IUPAC5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione
SMILESCC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C1C(=O)NC(=O)N1C
InChIInChI=1S/C23H22FN3O3/c1-12(2)19(20-22(29)26-23(30)27(20)3)15-9-10-18(25-21(15)28)14-8-7-13-5-4-6-17(24)16(13)11-14/h4-12,19-20H,1-3H3,(H,25,28)(H,26,29,30)
InChIKeyOXVFJOAEQVCXLP-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.62
Rot. Bonds4

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

5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione (PubChem CID 137477755) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione
PubChem CID137477755
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione
SMILESCC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C1C(=O)NC(=O)N1C
InChIInChI=1S/C23H22FN3O3/c1-12(2)19(20-22(29)26-23(30)27(20)3)15-9-10-18(25-21(15)28)14-8-7-13-5-4-6-17(24)16(13)11-14/h4-12,19-20H,1-3H3,(H,25,28)(H,26,29,30)
InChIKeyOXVFJOAEQVCXLP-UHFFFAOYSA-N
XLogP3.62
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione (CID 137477755) is 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione is CC(C)C(c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O)C1C(=O)NC(=O)N1C.
What is the InChIKey of 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is OXVFJOAEQVCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-12(2)19(20-22(29)26-23(30)27(20)3)15-9-10-18(25-21(15)28)14-8-7-13-5-4-6-17(24)16(13)11-14/h4-12,19-20H,1-3H3,(H,25,28)(H,26,29,30).
What are the key properties of 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione?
5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 407.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 137477755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).