6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one

C24H23FN2O2 — CID 137478205

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one
SMILESCC(C)C(/C=C1/CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H23FN2O2/c1-14(2)19(13-17-10-11-26-23(17)28)18-8-9-22(27-24(18)29)16-7-6-15-4-3-5-21(25)20(15)12-16/h3-9,12-14,19H,10-11H2,1-2H3,(H,26,28)(H,27,29)/b17-13-
InChIKeySYAXGJOJMZPSRW-LGMDPLHJSA-N
MW390.46 g/mol
LogP4.52
Rot. Bonds4

About 6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one

6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one (PubChem CID 137478205) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one
PubChem CID137478205
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one
SMILESCC(C)C(/C=C1/CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H23FN2O2/c1-14(2)19(13-17-10-11-26-23(17)28)18-8-9-22(27-24(18)29)16-7-6-15-4-3-5-21(25)20(15)12-16/h3-9,12-14,19H,10-11H2,1-2H3,(H,26,28)(H,27,29)/b17-13-
InChIKeySYAXGJOJMZPSRW-LGMDPLHJSA-N
XLogP4.52
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-((2-Naphthylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453441
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
6-(8-fluoronaphthalen-2-yl)-3-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one
CID 137487344
6-(3-Aminopropyl)-1-oxo-1,2-dihydrobenzo[h]isoquinoline-9-carboxamide
CID 15982885
N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]naphthalene-2-carboxamide
CID 68182839
2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
CID 137477568
6-(8-fluoronaphthalen-2-yl)-3-(3-methyl-1-morpholin-4-ylbutan-2-yl)-1H-pyridin-2-one
CID 137477638
2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-methoxy-3-methylbutanamide
CID 137477644
5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1,3-thiazolidine-2,4-dione
CID 137477697
6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxopiperidin-1-yl)propyl]-1H-pyridin-2-one
CID 137477747
5-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]-1-methylimidazolidine-2,4-dione
CID 137477755

Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one (CID 137478205) is 6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one is CC(C)C(/C=C1/CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one?
The InChIKey is SYAXGJOJMZPSRW-LGMDPLHJSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-14(2)19(13-17-10-11-26-23(17)28)18-8-9-22(27-24(18)29)16-7-6-15-4-3-5-21(25)20(15)12-16/h3-9,12-14,19H,10-11H2,1-2H3,(H,26,28)(H,27,29)/b17-13-.
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one has a molecular weight of 390.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoronaphthalen-2-yl)-3-[(1Z)-3-methyl-1-(2-oxopyrrolidin-3-ylidene)butan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 137478205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).