5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one

C16H18N2O2 — CID 59105021

IUPAC5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one
SMILESCNc1cc(Cc2ccccc2)cn(CC(C)=O)c1=O
InChIInChI=1S/C16H18N2O2/c1-12(19)10-18-11-14(9-15(17-2)16(18)20)8-13-6-4-3-5-7-13/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyGWAOIQKURAHYCS-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.07
Rot. Bonds5

About 5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one

5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one (PubChem CID 59105021) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one.

Molecular Properties

Compound Name5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one
PubChem CID59105021
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one
SMILESCNc1cc(Cc2ccccc2)cn(CC(C)=O)c1=O
InChIInChI=1S/C16H18N2O2/c1-12(19)10-18-11-14(9-15(17-2)16(18)20)8-13-6-4-3-5-7-13/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyGWAOIQKURAHYCS-UHFFFAOYSA-N
XLogP2.07
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one?
The IUPAC name of 5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one (CID 59105021) is 5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one.
What is the SMILES notation for 5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one?
The canonical SMILES for 5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one is CNc1cc(Cc2ccccc2)cn(CC(C)=O)c1=O.
What is the InChIKey of 5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one?
The InChIKey is GWAOIQKURAHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(19)10-18-11-14(9-15(17-2)16(18)20)8-13-6-4-3-5-7-13/h3-7,9,11,17H,8,10H2,1-2H3.
What are the key properties of 5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one?
5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one has a molecular weight of 270.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(methylamino)-1-(2-oxopropyl)pyridin-2-one is sourced from PubChem (CID 59105021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).