1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one

C20H24N2O3 — CID 94635762

IUPAC1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCOCCn1cc(C(=O)N2CCC[C@H]2c2cccc(C)c2)ccc1=O
InChIInChI=1S/C20H24N2O3/c1-15-5-3-6-16(13-15)18-7-4-10-22(18)20(24)17-8-9-19(23)21(14-17)11-12-25-2/h3,5-6,8-9,13-14,18H,4,7,10-12H2,1-2H3/t18-/m0/s1
InChIKeyOXRUDVJOZCDAJC-SFHVURJKSA-N
MW340.42 g/mol
LogP2.78
Rot. Bonds5

About 1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one

1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one (PubChem CID 94635762) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one
PubChem CID94635762
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESCOCCn1cc(C(=O)N2CCC[C@H]2c2cccc(C)c2)ccc1=O
InChIInChI=1S/C20H24N2O3/c1-15-5-3-6-16(13-15)18-7-4-10-22(18)20(24)17-8-9-19(23)21(14-17)11-12-25-2/h3,5-6,8-9,13-14,18H,4,7,10-12H2,1-2H3/t18-/m0/s1
InChIKeyOXRUDVJOZCDAJC-SFHVURJKSA-N
XLogP2.78
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 95579844
5-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyridin-2-one
CID 95779287
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120986995
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415
2-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 46536603
2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 110246981
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
(2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 171673570
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 166231310
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one (CID 94635762) is 1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one is COCCn1cc(C(=O)N2CCC[C@H]2c2cccc(C)c2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one?
The InChIKey is OXRUDVJOZCDAJC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-5-3-6-16(13-15)18-7-4-10-22(18)20(24)17-8-9-19(23)21(14-17)11-12-25-2/h3,5-6,8-9,13-14,18H,4,7,10-12H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one?
1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one has a molecular weight of 340.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 94635762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).