1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one

C15H18N2O — CID 63172535

IUPAC1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one
SMILESCc1cccn(CCNCc2ccccc2)c1=O
InChIInChI=1S/C15H18N2O/c1-13-6-5-10-17(15(13)18)11-9-16-12-14-7-3-2-4-8-14/h2-8,10,16H,9,11-12H2,1H3
InChIKeyQSZJMXVKSAKSBL-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.95
Rot. Bonds5

About 1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one

1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one (PubChem CID 63172535) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one
PubChem CID63172535
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one
SMILESCc1cccn(CCNCc2ccccc2)c1=O
InChIInChI=1S/C15H18N2O/c1-13-6-5-10-17(15(13)18)11-9-16-12-14-7-3-2-4-8-14/h2-8,10,16H,9,11-12H2,1H3
InChIKeyQSZJMXVKSAKSBL-UHFFFAOYSA-N
XLogP1.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one (CID 63172535) is 1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one is Cc1cccn(CCNCc2ccccc2)c1=O.
What is the InChIKey of 1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one?
The InChIKey is QSZJMXVKSAKSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-13-6-5-10-17(15(13)18)11-9-16-12-14-7-3-2-4-8-14/h2-8,10,16H,9,11-12H2,1H3.
What are the key properties of 1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one?
1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one has a molecular weight of 242.32 g/mol, XLogP of 1.95, 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]-3-methylpyridin-2-one is sourced from PubChem (CID 63172535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).