1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one

C19H22N2O3 — CID 162437725

IUPAC1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
SMILESCCn1ccc(C)c(N2CC(c3ccc(OC)cc3)CC2=O)c1=O
InChIInChI=1S/C19H22N2O3/c1-4-20-10-9-13(2)18(19(20)23)21-12-15(11-17(21)22)14-5-7-16(24-3)8-6-14/h5-10,15H,4,11-12H2,1-3H3
InChIKeyBISUNFKXPQQUBT-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.71
Rot. Bonds4

About 1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one

1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one (PubChem CID 162437725) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
PubChem CID162437725
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
SMILESCCn1ccc(C)c(N2CC(c3ccc(OC)cc3)CC2=O)c1=O
InChIInChI=1S/C19H22N2O3/c1-4-20-10-9-13(2)18(19(20)23)21-12-15(11-17(21)22)14-5-7-16(24-3)8-6-14/h5-10,15H,4,11-12H2,1-3H3
InChIKeyBISUNFKXPQQUBT-UHFFFAOYSA-N
XLogP2.71
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
CID 170369474
3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one
CID 170366975
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
CID 170370781
3-[(4R)-4-(2-fluoro-4-methoxy-6-phosphanylphenyl)-2-oxopyrrolidin-1-yl]-1,4-dimethylpyridin-2-one
CID 170366841
(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one
CID 11034304
4-(difluoromethoxy)-N-methylbenzamide;3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-hydroxypropyl)-4-methylpyridin-2-one
CID 162437914
1-(2,6-dimethylphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003148
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(1-oxothian-4-yl)pyridin-2-one
CID 162437746
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319281
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methyl-1-(oxetan-2-ylmethyl)pyridin-2-one;fluoromethanol;1-fluoro-4-methylbenzene;N-methylformamide
CID 162437252
4-(difluoromethoxy)-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
CID 169319523

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one (CID 162437725) is 1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one is CCn1ccc(C)c(N2CC(c3ccc(OC)cc3)CC2=O)c1=O.
What is the InChIKey of 1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one?
The InChIKey is BISUNFKXPQQUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-20-10-9-13(2)18(19(20)23)21-12-15(11-17(21)22)14-5-7-16(24-3)8-6-14/h5-10,15H,4,11-12H2,1-3H3.
What are the key properties of 1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one?
1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one is sourced from PubChem (CID 162437725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).