1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one

C25H23N3O2 — CID 172517099

IUPAC1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(-c2ccc(-c3ccncc3)cc2)cc(N2CCCC2=O)c1
InChIInChI=1S/C25H23N3O2/c29-24-3-1-13-27(24)22-15-21(16-23(17-22)28-14-2-4-25(28)30)19-7-5-18(6-8-19)20-9-11-26-12-10-20/h5-12,15-17H,1-4,13-14H2
InChIKeyLKZWFDASUFYJFV-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.67
Rot. Bonds4

About 1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one

1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one (PubChem CID 172517099) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
PubChem CID172517099
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(-c2ccc(-c3ccncc3)cc2)cc(N2CCCC2=O)c1
InChIInChI=1S/C25H23N3O2/c29-24-3-1-13-27(24)22-15-21(16-23(17-22)28-14-2-4-25(28)30)19-7-5-18(6-8-19)20-9-11-26-12-10-20/h5-12,15-17H,1-4,13-14H2
InChIKeyLKZWFDASUFYJFV-UHFFFAOYSA-N
XLogP4.67
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(4-tert-butyl-3-pyridinyl)phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517290
1-[3,5-bis[4-(4-tert-butyl-3-pyridinyl)phenyl]phenyl]piperidin-2-one
CID 172516998
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
1-[3-[4-[5-(3,5-ditert-butylphenyl)-2-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517215
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
1-[3-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517299
1-(3,5-dipyridin-2-ylphenyl)pyrrolidin-2-one
CID 172517347
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one
CID 175851778
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one (CID 172517099) is 1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1cc(-c2ccc(-c3ccncc3)cc2)cc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one?
The InChIKey is LKZWFDASUFYJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-24-3-1-13-27(24)22-15-21(16-23(17-22)28-14-2-4-25(28)30)19-7-5-18(6-8-19)20-9-11-26-12-10-20/h5-12,15-17H,1-4,13-14H2.
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one?
1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one has a molecular weight of 397.48 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 172517099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).