1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one

C18H20ClN3O — CID 56787467

IUPAC1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
SMILESCN(CCc1ccncc1)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H20ClN3O/c1-21(12-8-14-6-10-20-11-7-14)17-9-13-22(18(17)23)16-5-3-2-4-15(16)19/h2-7,10-11,17H,8-9,12-13H2,1H3
InChIKeyLRZOXEWXXUXVGS-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.01
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one

1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one (PubChem CID 56787467) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
PubChem CID56787467
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
SMILESCN(CCc1ccncc1)C1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H20ClN3O/c1-21(12-8-14-6-10-20-11-7-14)17-9-13-22(18(17)23)16-5-3-2-4-15(16)19/h2-7,10-11,17H,8-9,12-13H2,1H3
InChIKeyLRZOXEWXXUXVGS-UHFFFAOYSA-N
XLogP3.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one (CID 56787467) is 1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one is CN(CCc1ccncc1)C1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one?
The InChIKey is LRZOXEWXXUXVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-21(12-8-14-6-10-20-11-7-14)17-9-13-22(18(17)23)16-5-3-2-4-15(16)19/h2-7,10-11,17H,8-9,12-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one?
1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one has a molecular weight of 329.83 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 56787467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).