3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one

C9H14N2O — CID 63172679

IUPAC3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one
SMILESCNCCn1cccc(C)c1=O
InChIInChI=1S/C9H14N2O/c1-8-4-3-6-11(9(8)12)7-5-10-2/h3-4,6,10H,5,7H2,1-2H3
InChIKeyGBAPGCRUPKASNA-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.38
Rot. Bonds3

About 3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one

3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one (PubChem CID 63172679) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one
PubChem CID63172679
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one
SMILESCNCCn1cccc(C)c1=O
InChIInChI=1S/C9H14N2O/c1-8-4-3-6-11(9(8)12)7-5-10-2/h3-4,6,10H,5,7H2,1-2H3
InChIKeyGBAPGCRUPKASNA-UHFFFAOYSA-N
XLogP0.38
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one (CID 63172679) is 3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one is CNCCn1cccc(C)c1=O.
What is the InChIKey of 3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one?
The InChIKey is GBAPGCRUPKASNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-4-3-6-11(9(8)12)7-5-10-2/h3-4,6,10H,5,7H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one?
3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(methylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 63172679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).