1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one

C21H19N3O — CID 146702656

IUPAC1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
SMILESCc1cc(N2CCCC2=O)ccc1-c1cncc(-c2ccncc2)c1
InChIInChI=1S/C21H19N3O/c1-15-11-19(24-10-2-3-21(24)25)4-5-20(15)18-12-17(13-23-14-18)16-6-8-22-9-7-16/h4-9,11-14H,2-3,10H2,1H3
InChIKeyQWFZPSXBRPKWMG-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.25
Rot. Bonds3

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

1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one (PubChem CID 146702656) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
PubChem CID146702656
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
SMILESCc1cc(N2CCCC2=O)ccc1-c1cncc(-c2ccncc2)c1
InChIInChI=1S/C21H19N3O/c1-15-11-19(24-10-2-3-21(24)25)4-5-20(15)18-12-17(13-23-14-18)16-6-8-22-9-7-16/h4-9,11-14H,2-3,10H2,1H3
InChIKeyQWFZPSXBRPKWMG-UHFFFAOYSA-N
XLogP4.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
methyl 4-[5-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 147012999
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-[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 157140097
1-(5-methyl-4-pyridin-4-yl-5H-chromeno[4,3-c]pyridin-8-yl)pyrrolidin-2-one
CID 142612210
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-6H-pyrazolo[5,4-c]pyridin-7-one
CID 155210783
1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one
CID 129218927
4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-pyridin-4-yl-7H-cyclopenta[b]pyridine-6-carboxamide
CID 158497159
1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 160634990
methyl 4-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzoate
CID 18694267

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one (CID 146702656) is 1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one is Cc1cc(N2CCCC2=O)ccc1-c1cncc(-c2ccncc2)c1.
What is the InChIKey of 1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one?
The InChIKey is QWFZPSXBRPKWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-11-19(24-10-2-3-21(24)25)4-5-20(15)18-12-17(13-23-14-18)16-6-8-22-9-7-16/h4-9,11-14H,2-3,10H2,1H3.
What are the key properties of 1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one?
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 146702656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).