1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one

C17H19N3O — CID 43679644

IUPAC1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
SMILESCC(Nc1ccc(N2CCCC2=O)cc1)c1ccncc1
InChIInChI=1S/C17H19N3O/c1-13(14-8-10-18-11-9-14)19-15-4-6-16(7-5-15)20-12-2-3-17(20)21/h4-11,13,19H,2-3,12H2,1H3
InChIKeyZPBQQMQRTVIOEP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.38
Rot. Bonds4

About 1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one

1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one (PubChem CID 43679644) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
PubChem CID43679644
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one
SMILESCC(Nc1ccc(N2CCCC2=O)cc1)c1ccncc1
InChIInChI=1S/C17H19N3O/c1-13(14-8-10-18-11-9-14)19-15-4-6-16(7-5-15)20-12-2-3-17(20)21/h4-11,13,19H,2-3,12H2,1H3
InChIKeyZPBQQMQRTVIOEP-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one
CID 100660181
1-[4-(1-cyclopentylethylamino)phenyl]pyrrolidin-2-one
CID 62632450
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[4-[(1S)-1-(3-imidazol-1-ylpropylamino)ethyl]phenyl]pyrrolidin-2-one
CID 97228964
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
CID 103930966
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41156699
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521
1-[4-(heptan-3-ylamino)phenyl]pyrrolidin-2-one
CID 63946908
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one (CID 43679644) is 1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one is CC(Nc1ccc(N2CCCC2=O)cc1)c1ccncc1.
What is the InChIKey of 1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one?
The InChIKey is ZPBQQMQRTVIOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(14-8-10-18-11-9-14)19-15-4-6-16(7-5-15)20-12-2-3-17(20)21/h4-11,13,19H,2-3,12H2,1H3.
What are the key properties of 1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one?
1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-pyridin-4-ylethylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43679644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).