1-(diethylaminomethyl)pyridin-2-one

C10H16N2O — CID 18613535

IUPAC1-(diethylaminomethyl)pyridin-2-one
SMILESCCN(CC)Cn1ccccc1=O
InChIInChI=1S/C10H16N2O/c1-3-11(4-2)9-12-8-6-5-7-10(12)13/h5-8H,3-4,9H2,1-2H3
InChIKeyQNTUPGDQROPCKZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.15
Rot. Bonds4

About 1-(diethylaminomethyl)pyridin-2-one

1-(diethylaminomethyl)pyridin-2-one (PubChem CID 18613535) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(diethylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(diethylaminomethyl)pyridin-2-one
PubChem CID18613535
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(diethylaminomethyl)pyridin-2-one
SMILESCCN(CC)Cn1ccccc1=O
InChIInChI=1S/C10H16N2O/c1-3-11(4-2)9-12-8-6-5-7-10(12)13/h5-8H,3-4,9H2,1-2H3
InChIKeyQNTUPGDQROPCKZ-UHFFFAOYSA-N
XLogP1.15
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(diethylaminomethyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(diethylaminomethyl)pyridin-2-one?
The IUPAC name of 1-(diethylaminomethyl)pyridin-2-one (CID 18613535) is 1-(diethylaminomethyl)pyridin-2-one.
What is the SMILES notation for 1-(diethylaminomethyl)pyridin-2-one?
The canonical SMILES for 1-(diethylaminomethyl)pyridin-2-one is CCN(CC)Cn1ccccc1=O.
What is the InChIKey of 1-(diethylaminomethyl)pyridin-2-one?
The InChIKey is QNTUPGDQROPCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-11(4-2)9-12-8-6-5-7-10(12)13/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 1-(diethylaminomethyl)pyridin-2-one?
1-(diethylaminomethyl)pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylaminomethyl)pyridin-2-one is sourced from PubChem (CID 18613535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).