(3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one

C22H20N2O2 — CID 125488307

IUPAC(3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one
SMILESCOc1cccc([C@@H]2CCN(c3ccc(-c4ccncc4)cc3)C2=O)c1
InChIInChI=1S/C22H20N2O2/c1-26-20-4-2-3-18(15-20)21-11-14-24(22(21)25)19-7-5-16(6-8-19)17-9-12-23-13-10-17/h2-10,12-13,15,21H,11,14H2,1H3/t21-/m0/s1
InChIKeyGMWSHCZWEGTCTC-NRFANRHFSA-N
MW344.41 g/mol
LogP4.28
Rot. Bonds4

About (3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one

(3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one (PubChem CID 125488307) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one
PubChem CID125488307
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one
SMILESCOc1cccc([C@@H]2CCN(c3ccc(-c4ccncc4)cc3)C2=O)c1
InChIInChI=1S/C22H20N2O2/c1-26-20-4-2-3-18(15-20)21-11-14-24(22(21)25)19-7-5-16(6-8-19)17-9-12-23-13-10-17/h2-10,12-13,15,21H,11,14H2,1H3/t21-/m0/s1
InChIKeyGMWSHCZWEGTCTC-NRFANRHFSA-N
XLogP4.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 125488196
3-(3-hydroxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 138567238
1-(3-methylphenyl)-3-pyridin-3-ylpyrrolidin-2-one
CID 175984364
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238989
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
4-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]-1,4-diazepan-2-one
CID 146585182
1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515859
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
1-benzyl-3-(3-methoxyphenyl)azepan-2-one
CID 20565337

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one (CID 125488307) is (3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one is COc1cccc([C@@H]2CCN(c3ccc(-c4ccncc4)cc3)C2=O)c1.
What is the InChIKey of (3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one?
The InChIKey is GMWSHCZWEGTCTC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-20-4-2-3-18(15-20)21-11-14-24(22(21)25)19-7-5-16(6-8-19)17-9-12-23-13-10-17/h2-10,12-13,15,21H,11,14H2,1H3/t21-/m0/s1.
What are the key properties of (3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one?
(3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one has a molecular weight of 344.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 125488307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).