2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one

C12H20N2O2 — CID 162659052

IUPAC2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCCCCNCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C12H20N2O2/c1-4-5-6-13-8-10-12(16)11(15)7-9(2)14(10)3/h7,13,16H,4-6,8H2,1-3H3
InChIKeyHQBQIQOSPIEFMO-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.29
Rot. Bonds5

About 2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one

2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one (PubChem CID 162659052) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one
PubChem CID162659052
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCCCCNCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C12H20N2O2/c1-4-5-6-13-8-10-12(16)11(15)7-9(2)14(10)3/h7,13,16H,4-6,8H2,1-3H3
InChIKeyHQBQIQOSPIEFMO-UHFFFAOYSA-N
XLogP1.29
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-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-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one?
The IUPAC name of 2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one (CID 162659052) is 2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one?
The canonical SMILES for 2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one is CCCCNCc1c(O)c(=O)cc(C)n1C.
What is the InChIKey of 2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one?
The InChIKey is HQBQIQOSPIEFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-5-6-13-8-10-12(16)11(15)7-9(2)14(10)3/h7,13,16H,4-6,8H2,1-3H3.
What are the key properties of 2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one?
2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one has a molecular weight of 224.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylaminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 162659052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).