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

C23H20FN3O3 — CID 162673365

IUPAC(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione
SMILESCC(C)C(/C=C1\NC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H20FN3O3/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/h3-12,16H,1-2H3,(H,25,28)(H2,26,27,29,30)/b20-11-
InChIKeyYIOOYTASCMSTFZ-JAIQZWGSSA-N
MW405.43 g/mol
LogP3.80
Rot. Bonds4

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

(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione (PubChem CID 162673365) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione
PubChem CID162673365
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione
SMILESCC(C)C(/C=C1\NC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H20FN3O3/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/h3-12,16H,1-2H3,(H,25,28)(H2,26,27,29,30)/b20-11-
InChIKeyYIOOYTASCMSTFZ-JAIQZWGSSA-N
XLogP3.80
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione (CID 162673365) is (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione is CC(C)C(/C=C1\NC(=O)NC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione?
The InChIKey is YIOOYTASCMSTFZ-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H20FN3O3/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/h3-12,16H,1-2H3,(H,25,28)(H2,26,27,29,30)/b20-11-.
What are the key properties of (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione?
(5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione has a molecular weight of 405.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 162673365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).