5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one

C24H24N2O3 — CID 69082781

IUPAC5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CCC(=O)N1Cc1ccnc(-c2ccccc2)c1
InChIInChI=1S/C24H24N2O3/c1-28-21-9-6-10-22(29-2)24(21)20-11-12-23(27)26(20)16-17-13-14-25-19(15-17)18-7-4-3-5-8-18/h3-10,13-15,20H,11-12,16H2,1-2H3
InChIKeyTUPHNZHOLLEXOB-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.63
Rot. Bonds6

About 5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one

5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 69082781) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID69082781
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CCC(=O)N1Cc1ccnc(-c2ccccc2)c1
InChIInChI=1S/C24H24N2O3/c1-28-21-9-6-10-22(29-2)24(21)20-11-12-23(27)26(20)16-17-13-14-25-19(15-17)18-7-4-3-5-8-18/h3-10,13-15,20H,11-12,16H2,1-2H3
InChIKeyTUPHNZHOLLEXOB-UHFFFAOYSA-N
XLogP4.63
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one (CID 69082781) is 5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one is COc1cccc(OC)c1C1CCC(=O)N1Cc1ccnc(-c2ccccc2)c1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is TUPHNZHOLLEXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-28-21-9-6-10-22(29-2)24(21)20-11-12-23(27)26(20)16-17-13-14-25-19(15-17)18-7-4-3-5-8-18/h3-10,13-15,20H,11-12,16H2,1-2H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 388.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1-[(2-phenyl-4-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 69082781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).