1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one

C24H25N3O — CID 166349170

IUPAC1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one
SMILESCN(Cc1ccc(-c2ccncc2)cc1)C1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C24H25N3O/c1-26(17-20-7-9-21(10-8-20)22-11-14-25-15-12-22)23-13-16-27(24(23)28)18-19-5-3-2-4-6-19/h2-12,14-15,23H,13,16-18H2,1H3
InChIKeyDZWYOOMCUKXZTB-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.98
Rot. Bonds6

About 1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one

1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one (PubChem CID 166349170) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one
PubChem CID166349170
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one
SMILESCN(Cc1ccc(-c2ccncc2)cc1)C1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C24H25N3O/c1-26(17-20-7-9-21(10-8-20)22-11-14-25-15-12-22)23-13-16-27(24(23)28)18-19-5-3-2-4-6-19/h2-12,14-15,23H,13,16-18H2,1H3
InChIKeyDZWYOOMCUKXZTB-UHFFFAOYSA-N
XLogP3.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one (CID 166349170) is 1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one is CN(Cc1ccc(-c2ccncc2)cc1)C1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one?
The InChIKey is DZWYOOMCUKXZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-26(17-20-7-9-21(10-8-20)22-11-14-25-15-12-22)23-13-16-27(24(23)28)18-19-5-3-2-4-6-19/h2-12,14-15,23H,13,16-18H2,1H3.
What are the key properties of 1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one?
1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one has a molecular weight of 371.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 166349170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).