1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one

C14H21N3O2 — CID 112689214

IUPAC1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one
SMILESO=C(CCNCCn1ccccc1=O)N1CCCC1
InChIInChI=1S/C14H21N3O2/c18-13-5-1-2-9-17(13)12-8-15-7-6-14(19)16-10-3-4-11-16/h1-2,5,9,15H,3-4,6-8,10-12H2
InChIKeyVGNNQCGVUHDFNN-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.45
Rot. Bonds6

About 1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one

1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one (PubChem CID 112689214) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one
PubChem CID112689214
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one
SMILESO=C(CCNCCn1ccccc1=O)N1CCCC1
InChIInChI=1S/C14H21N3O2/c18-13-5-1-2-9-17(13)12-8-15-7-6-14(19)16-10-3-4-11-16/h1-2,5,9,15H,3-4,6-8,10-12H2
InChIKeyVGNNQCGVUHDFNN-UHFFFAOYSA-N
XLogP0.45
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[2-(2-oxo-1-pyridinyl)ethylamino]propanamide
CID 82897118
ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate
CID 82897754
4-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 82897026
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4-diazepan-2-one
CID 62898319
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
CID 82907735
1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 103726896
1-[2-(benzylamino)ethyl]pyridin-2-one
CID 55070999
1-[2-[(1-methylcyclopentyl)amino]ethyl]pyridin-2-one
CID 82897665
3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013807
3-[(2,2-difluoro-2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 116789287

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one (CID 112689214) is 1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one is O=C(CCNCCn1ccccc1=O)N1CCCC1.
What is the InChIKey of 1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one?
The InChIKey is VGNNQCGVUHDFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-5-1-2-9-17(13)12-8-15-7-6-14(19)16-10-3-4-11-16/h1-2,5,9,15H,3-4,6-8,10-12H2.
What are the key properties of 1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one?
1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 112689214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).