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

C23H22FN3O3 — CID 137477780

IUPAC5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione
SMILESCC(C)C(CC1NC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H22FN3O3/c1-12(2)16(11-20-22(29)27-23(30)26-20)15-8-9-19(25-21(15)28)14-7-6-13-4-3-5-18(24)17(13)10-14/h3-10,12,16,20H,11H2,1-2H3,(H,25,28)(H2,26,27,29,30)
InChIKeyXWSUCTUAXJUZLT-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.67
Rot. Bonds5

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

5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione (PubChem CID 137477780) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione
PubChem CID137477780
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione
SMILESCC(C)C(CC1NC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H22FN3O3/c1-12(2)16(11-20-22(29)27-23(30)26-20)15-8-9-19(25-21(15)28)14-7-6-13-4-3-5-18(24)17(13)10-14/h3-10,12,16,20H,11H2,1-2H3,(H,25,28)(H2,26,27,29,30)
InChIKeyXWSUCTUAXJUZLT-UHFFFAOYSA-N
XLogP3.67
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.67
H-Bond Donors ≤ 53
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-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione (CID 137477780) is 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione is CC(C)C(CC1NC(=O)NC1=O)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]imidazolidine-2,4-dione?
The InChIKey is XWSUCTUAXJUZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-12(2)16(11-20-22(29)27-23(30)26-20)15-8-9-19(25-21(15)28)14-7-6-13-4-3-5-18(24)17(13)10-14/h3-10,12,16,20H,11H2,1-2H3,(H,25,28)(H2,26,27,29,30).
What are the key properties of 5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione?
5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione has a molecular weight of 407.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 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]imidazolidine-2,4-dione is sourced from PubChem (CID 137477780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).