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

C21H19N3O — CID 146769068

IUPAC1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
SMILESCc1c(-c2ccncc2)cncc1-c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H19N3O/c1-15-19(13-23-14-20(15)17-8-10-22-11-9-17)16-4-6-18(7-5-16)24-12-2-3-21(24)25/h4-11,13-14H,2-3,12H2,1H3
InChIKeyRRHDSYKSGSKRDS-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.25
Rot. Bonds3

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

1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one (PubChem CID 146769068) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
PubChem CID146769068
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
SMILESCc1c(-c2ccncc2)cncc1-c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H19N3O/c1-15-19(13-23-14-20(15)17-8-10-22-11-9-17)16-4-6-18(7-5-16)24-12-2-3-21(24)25/h4-11,13-14H,2-3,12H2,1H3
InChIKeyRRHDSYKSGSKRDS-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-3-pyridinyl)phenyl]piperidin-2-one
CID 129218927
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 172517099
1-(5-methyl-4-pyridin-4-yl-5H-chromeno[4,3-c]pyridin-8-yl)pyrrolidin-2-one
CID 142612210
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
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-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one
CID 175851778
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
CID 43679644

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one (CID 146769068) is 1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one is Cc1c(-c2ccncc2)cncc1-c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one?
The InChIKey is RRHDSYKSGSKRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-19(13-23-14-20(15)17-8-10-22-11-9-17)16-4-6-18(7-5-16)24-12-2-3-21(24)25/h4-11,13-14H,2-3,12H2,1H3.
What are the key properties of 1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one?
1-[4-(4-methyl-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-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 146769068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).