2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one

C10H14N2O — CID 95841142

IUPAC2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CN(C)C2)[nH]1
InChIInChI=1S/C10H14N2O/c1-7-3-9(13)4-10(11-7)8-5-12(2)6-8/h3-4,8H,5-6H2,1-2H3,(H,11,13)
InChIKeyZLUHKBNVPDAUTL-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.71
Rot. Bonds1

About 2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one

2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one (PubChem CID 95841142) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one
PubChem CID95841142
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one
SMILESCc1cc(=O)cc(C2CN(C)C2)[nH]1
InChIInChI=1S/C10H14N2O/c1-7-3-9(13)4-10(11-7)8-5-12(2)6-8/h3-4,8H,5-6H2,1-2H3,(H,11,13)
InChIKeyZLUHKBNVPDAUTL-UHFFFAOYSA-N
XLogP0.71
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-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 2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one (CID 95841142) is 2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one is Cc1cc(=O)cc(C2CN(C)C2)[nH]1.
What is the InChIKey of 2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one?
The InChIKey is ZLUHKBNVPDAUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-3-9(13)4-10(11-7)8-5-12(2)6-8/h3-4,8H,5-6H2,1-2H3,(H,11,13).
What are the key properties of 2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one?
2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one has a molecular weight of 178.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one is sourced from PubChem (CID 95841142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).