1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one

C14H21N3O — CID 54865845

IUPAC1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC(C)c1ccccn1
InChIInChI=1S/C14H21N3O/c1-11(10-17-9-5-7-14(17)18)16-12(2)13-6-3-4-8-15-13/h3-4,6,8,11-12,16H,5,7,9-10H2,1-2H3
InChIKeyXQRAFMAZFXEEIJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.74
Rot. Bonds5

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

1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one (PubChem CID 54865845) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one
PubChem CID54865845
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC(C)c1ccccn1
InChIInChI=1S/C14H21N3O/c1-11(10-17-9-5-7-14(17)18)16-12(2)13-6-3-4-8-15-13/h3-4,6,8,11-12,16H,5,7,9-10H2,1-2H3
InChIKeyXQRAFMAZFXEEIJ-UHFFFAOYSA-N
XLogP1.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60936415
4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81399712
N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
CID 55109743
1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one
CID 122232138
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
1-[2-[(3-methoxy-3-methylbutan-2-yl)amino]propyl]pyrrolidin-2-one
CID 114228203
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
1-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 81329590
1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 82963383
1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94184899
1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 80700350

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one (CID 54865845) is 1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NC(C)c1ccccn1.
What is the InChIKey of 1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one?
The InChIKey is XQRAFMAZFXEEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(10-17-9-5-7-14(17)18)16-12(2)13-6-3-4-8-15-13/h3-4,6,8,11-12,16H,5,7,9-10H2,1-2H3.
What are the key properties of 1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one?
1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 54865845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).