1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one

C21H18N2O2 — CID 160634990

IUPAC1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESO=C1C=CC(c2cncc(-c3ccc(N4CCCC4=O)cc3)c2)=CC1
InChIInChI=1S/C21H18N2O2/c24-20-9-5-16(6-10-20)18-12-17(13-22-14-18)15-3-7-19(8-4-15)23-11-1-2-21(23)25/h3-9,12-14H,1-2,10-11H2
InChIKeyRIKONLLPQHJUTI-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.79
Rot. Bonds3

About 1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one

1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one (PubChem CID 160634990) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
PubChem CID160634990
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESO=C1C=CC(c2cncc(-c3ccc(N4CCCC4=O)cc3)c2)=CC1
InChIInChI=1S/C21H18N2O2/c24-20-9-5-16(6-10-20)18-12-17(13-22-14-18)15-3-7-19(8-4-15)23-11-1-2-21(23)25/h3-9,12-14H,1-2,10-11H2
InChIKeyRIKONLLPQHJUTI-UHFFFAOYSA-N
XLogP3.79
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 146845095
1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 153264528
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
1-[4-[5-(5-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155210714
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 149315700
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-6H-pyrazolo[5,4-c]pyridin-7-one
CID 155210783
1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155227317
1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 172517099
1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 159588070

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one (CID 160634990) is 1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one is O=C1C=CC(c2cncc(-c3ccc(N4CCCC4=O)cc3)c2)=CC1.
What is the InChIKey of 1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
The InChIKey is RIKONLLPQHJUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-20-9-5-16(6-10-20)18-12-17(13-22-14-18)15-3-7-19(8-4-15)23-11-1-2-21(23)25/h3-9,12-14H,1-2,10-11H2.
What are the key properties of 1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one?
1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one has a molecular weight of 330.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 160634990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).