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

C24H25FN2O2 — CID 164620081

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one
SMILESCC(C)[C@@H](C[C@H]1CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H25FN2O2/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/h3-9,12,14,17,19H,10-11,13H2,1-2H3,(H,26,28)(H,27,29)/t17-,19-/m1/s1
InChIKeyMRRYONVYYKRREG-IEBWSBKVSA-N
MW392.47 g/mol
LogP4.60
Rot. Bonds5

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

6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one (PubChem CID 164620081) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one
PubChem CID164620081
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one
SMILESCC(C)[C@@H](C[C@H]1CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C24H25FN2O2/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/h3-9,12,14,17,19H,10-11,13H2,1-2H3,(H,26,28)(H,27,29)/t17-,19-/m1/s1
InChIKeyMRRYONVYYKRREG-IEBWSBKVSA-N
XLogP4.60
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
3-((2-Naphthylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453441
3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
CID 9928326
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
Substituted Benzamide Derivative, 2
CID 44236114
6-(3-aminopropyl)benzo[h]isoquinolin-1(2H)-one
CID 44443516
6-(8-fluoronaphthalen-2-yl)-3-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one
CID 137487344
(R)-N-isopropyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 45487774
PLpro-IN-1
CID 1287748
(R)-2-Methyl-5-((methylamino)methyl)-N-(1-(naphthalen-1-yl)ethyl)benzamide
CID 44236357
2-(1-Benzoylpiperidin-4-ylidene)-N-{(3R)-1-[(6-fluoro-2-naphthyl)methyl]pyrrolidin-3-yl}acetamide
CID 9847583

Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one (CID 164620081) is 6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one is CC(C)[C@@H](C[C@H]1CCNC1=O)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one?
The InChIKey is MRRYONVYYKRREG-IEBWSBKVSA-N. The full InChI is InChI=1S/C24H25FN2O2/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/h3-9,12,14,17,19H,10-11,13H2,1-2H3,(H,26,28)(H,27,29)/t17-,19-/m1/s1.
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one has a molecular weight of 392.47 g/mol, XLogP of 4.60, 5 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-[(2R)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 164620081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).