N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide

C23H24FN3O2 — CID 137477794

IUPACN-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CNC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H24FN3O2/c1-13(2)21(23(29)26-16-11-25-12-16)17-8-9-20(27-22(17)28)15-7-6-14-4-3-5-19(24)18(14)10-15/h3-10,13,16,21,25H,11-12H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyBSEVIKQIJFDTTM-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.16
Rot. Bonds5

About N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide

N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide (PubChem CID 137477794) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
PubChem CID137477794
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CNC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C23H24FN3O2/c1-13(2)21(23(29)26-16-11-25-12-16)17-8-9-20(27-22(17)28)15-7-6-14-4-3-5-19(24)18(14)10-15/h3-10,13,16,21,25H,11-12H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyBSEVIKQIJFDTTM-UHFFFAOYSA-N
XLogP3.16
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-((2-Naphthylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453441
6-(8-fluoronaphthalen-2-yl)-3-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1H-pyridin-2-one
CID 137487344
SARS-CoV-2 PLpro Inhibitor, 14
CID 156907198
2-fluoro-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
CID 137477568
2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-methoxy-3-methylbutanamide
CID 137477644
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
5-[2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutyl]imidazolidine-2,4-dione
CID 137477780
2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-N-(2-hydroxyethyl)-3-methylbutanamide
CID 137477849
6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(2-oxoimidazolidin-1-yl)propyl]-1H-pyridin-2-one
CID 137477851
N-(1,3-dihydroxypropan-2-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide
CID 137477876
6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-2-yl]-1H-pyridin-2-one
CID 137477893

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The IUPAC name of N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide (CID 137477794) is N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide is CC(C)C(C(=O)NC1CNC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
The InChIKey is BSEVIKQIJFDTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-13(2)21(23(29)26-16-11-25-12-16)17-8-9-20(27-22(17)28)15-7-6-14-4-3-5-19(24)18(14)10-15/h3-10,13,16,21,25H,11-12H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide?
N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide has a molecular weight of 393.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 137477794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).