(2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C22H18N2O2 — CID 94073557

IUPAC(2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)[C@H](c2ccccc2)N1Cc1cccnc1
InChIInChI=1S/C22H18N2O2/c25-21-19(17-9-3-1-4-10-17)20(18-11-5-2-6-12-18)24(22(21)26)15-16-8-7-13-23-14-16/h1-14,20,25H,15H2/t20-/m0/s1
InChIKeyZKGCRNRUJUENMH-FQEVSTJZSA-N
MW342.40 g/mol
LogP4.13
Rot. Bonds4

About (2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

(2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 94073557) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID94073557
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)[C@H](c2ccccc2)N1Cc1cccnc1
InChIInChI=1S/C22H18N2O2/c25-21-19(17-9-3-1-4-10-17)20(18-11-5-2-6-12-18)24(22(21)26)15-16-8-7-13-23-14-16/h1-14,20,25H,15H2/t20-/m0/s1
InChIKeyZKGCRNRUJUENMH-FQEVSTJZSA-N
XLogP4.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 649635
(2S)-3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 699369
1-benzyl-3-(4-fluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 45031889
(2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 94073554
(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
CID 94072924
(2R)-4-hydroxy-2,3-diphenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 51982203
(2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 51982204
(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 51981990
(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073480
(2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 94073580
3-acetyl-1-benzyl-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3151830

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 94073557) is (2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is O=C1C(O)=C(c2ccccc2)[C@H](c2ccccc2)N1Cc1cccnc1.
What is the InChIKey of (2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is ZKGCRNRUJUENMH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21-19(17-9-3-1-4-10-17)20(18-11-5-2-6-12-18)24(22(21)26)15-16-8-7-13-23-14-16/h1-14,20,25H,15H2/t20-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
(2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 342.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 94073557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).