3-amino-1-(4-methoxybutyl)pyridin-4-one

C10H16N2O2 — CID 104647605

IUPAC3-amino-1-(4-methoxybutyl)pyridin-4-one
SMILESCOCCCCn1ccc(=O)c(N)c1
InChIInChI=1S/C10H16N2O2/c1-14-7-3-2-5-12-6-4-10(13)9(11)8-12/h4,6,8H,2-3,5,7,11H2,1H3
InChIKeyMOFOHISIUVTSLM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds5

About 3-amino-1-(4-methoxybutyl)pyridin-4-one

3-amino-1-(4-methoxybutyl)pyridin-4-one (PubChem CID 104647605) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-1-(4-methoxybutyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(4-methoxybutyl)pyridin-4-one
PubChem CID104647605
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-amino-1-(4-methoxybutyl)pyridin-4-one
SMILESCOCCCCn1ccc(=O)c(N)c1
InChIInChI=1S/C10H16N2O2/c1-14-7-3-2-5-12-6-4-10(13)9(11)8-12/h4,6,8H,2-3,5,7,11H2,1H3
InChIKeyMOFOHISIUVTSLM-UHFFFAOYSA-N
XLogP0.86
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-1-(4-methoxybutyl)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 3-amino-1-(4-methoxybutyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(4-methoxybutyl)pyridin-4-one (CID 104647605) is 3-amino-1-(4-methoxybutyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(4-methoxybutyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(4-methoxybutyl)pyridin-4-one is COCCCCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-(4-methoxybutyl)pyridin-4-one?
The InChIKey is MOFOHISIUVTSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-7-3-2-5-12-6-4-10(13)9(11)8-12/h4,6,8H,2-3,5,7,11H2,1H3.
What are the key properties of 3-amino-1-(4-methoxybutyl)pyridin-4-one?
3-amino-1-(4-methoxybutyl)pyridin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methoxybutyl)pyridin-4-one is sourced from PubChem (CID 104647605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).