4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one

C11H17ClN2O — CID 130609828

IUPAC4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one
SMILESCC(C)C(Cl)CNc1ccn(C)c(=O)c1
InChIInChI=1S/C11H17ClN2O/c1-8(2)10(12)7-13-9-4-5-14(3)11(15)6-9/h4-6,8,10,13H,7H2,1-3H3
InChIKeyWNYHWXYDLJPMDM-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.06
Rot. Bonds4

About 4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one

4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one (PubChem CID 130609828) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one
PubChem CID130609828
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one
SMILESCC(C)C(Cl)CNc1ccn(C)c(=O)c1
InChIInChI=1S/C11H17ClN2O/c1-8(2)10(12)7-13-9-4-5-14(3)11(15)6-9/h4-6,8,10,13H,7H2,1-3H3
InChIKeyWNYHWXYDLJPMDM-UHFFFAOYSA-N
XLogP2.06
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-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 4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one?
The IUPAC name of 4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one (CID 130609828) is 4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one is CC(C)C(Cl)CNc1ccn(C)c(=O)c1.
What is the InChIKey of 4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one?
The InChIKey is WNYHWXYDLJPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(2)10(12)7-13-9-4-5-14(3)11(15)6-9/h4-6,8,10,13H,7H2,1-3H3.
What are the key properties of 4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one?
4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one has a molecular weight of 228.72 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-methylbutyl)amino]-1-methylpyridin-2-one is sourced from PubChem (CID 130609828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).