1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one

C20H25N3O — CID 134700180

IUPAC1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN(CCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C20H25N3O/c24-20-9-5-12-23(20)15-14-22(17-19-8-4-11-21-16-19)13-10-18-6-2-1-3-7-18/h1-4,6-8,11,16H,5,9-10,12-15,17H2
InChIKeyMJSXSHPSODJZOA-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.75
Rot. Bonds8

About 1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one

1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one (PubChem CID 134700180) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one
PubChem CID134700180
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN(CCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C20H25N3O/c24-20-9-5-12-23(20)15-14-22(17-19-8-4-11-21-16-19)13-10-18-6-2-1-3-7-18/h1-4,6-8,11,16H,5,9-10,12-15,17H2
InChIKeyMJSXSHPSODJZOA-UHFFFAOYSA-N
XLogP2.75
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 91784965
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269486
3-[3-phenylpropyl(pyridin-3-ylmethyl)amino]propanenitrile
CID 74229300
1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116400
1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one
CID 74236287
1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine
CID 60914978
1-(2-pyridin-3-ylprop-2-enyl)pyrrolidin-2-one
CID 22733091
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one (CID 134700180) is 1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one is O=C1CCCN1CCN(CCc1ccccc1)Cc1cccnc1.
What is the InChIKey of 1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one?
The InChIKey is MJSXSHPSODJZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20-9-5-12-23(20)15-14-22(17-19-8-4-11-21-16-19)13-10-18-6-2-1-3-7-18/h1-4,6-8,11,16H,5,9-10,12-15,17H2.
What are the key properties of 1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one?
1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 134700180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).