1-[2-(benzylamino)ethyl]pyridin-2-one

C14H16N2O — CID 55070999

IUPAC1-[2-(benzylamino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCc1ccccc1
InChIInChI=1S/C14H16N2O/c17-14-8-4-5-10-16(14)11-9-15-12-13-6-2-1-3-7-13/h1-8,10,15H,9,11-12H2
InChIKeyXLYUDQPHRQSQHC-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-(benzylamino)ethyl]pyridin-2-one

1-[2-(benzylamino)ethyl]pyridin-2-one (PubChem CID 55070999) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[2-(benzylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(benzylamino)ethyl]pyridin-2-one
PubChem CID55070999
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-[2-(benzylamino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCc1ccccc1
InChIInChI=1S/C14H16N2O/c17-14-8-4-5-10-16(14)11-9-15-12-13-6-2-1-3-7-13/h1-8,10,15H,9,11-12H2
InChIKeyXLYUDQPHRQSQHC-UHFFFAOYSA-N
XLogP1.64
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(benzylamino)ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[2-(2-oxo-1-pyridinyl)ethylamino]acetamide
CID 82898701
1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one
CID 78977821
1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one
CID 82898066
1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one
CID 63172535
1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
CID 82907735
1-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]pyridin-2-one
CID 82896617
1-[2-[(4-methyl-3-pyridinyl)methylamino]ethyl]pyridin-2-one
CID 114955416
1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
CID 82897744
1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
CID 62564162
4-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 82897026
N-methyl-3-[2-(2-oxo-1-pyridinyl)ethylamino]propanamide
CID 82897118
1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one
CID 82907275

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(benzylamino)ethyl]pyridin-2-one (CID 55070999) is 1-[2-(benzylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(benzylamino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(benzylamino)ethyl]pyridin-2-one is O=c1ccccn1CCNCc1ccccc1.
What is the InChIKey of 1-[2-(benzylamino)ethyl]pyridin-2-one?
The InChIKey is XLYUDQPHRQSQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14-8-4-5-10-16(14)11-9-15-12-13-6-2-1-3-7-13/h1-8,10,15H,9,11-12H2.
What are the key properties of 1-[2-(benzylamino)ethyl]pyridin-2-one?
1-[2-(benzylamino)ethyl]pyridin-2-one has a molecular weight of 228.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 55070999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).