4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one

C10H14Cl2N2O — CID 131213852

IUPAC4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one
SMILESCn1ccc(NC(C)(CCl)CCl)cc1=O
InChIInChI=1S/C10H14Cl2N2O/c1-10(6-11,7-12)13-8-3-4-14(2)9(15)5-8/h3-5,13H,6-7H2,1-2H3
InChIKeyRIHSQMFRVPXGLQ-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.03
Rot. Bonds4

About 4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one

4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one (PubChem CID 131213852) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one
PubChem CID131213852
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one
SMILESCn1ccc(NC(C)(CCl)CCl)cc1=O
InChIInChI=1S/C10H14Cl2N2O/c1-10(6-11,7-12)13-8-3-4-14(2)9(15)5-8/h3-5,13H,6-7H2,1-2H3
InChIKeyRIHSQMFRVPXGLQ-UHFFFAOYSA-N
XLogP2.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(1,3-dichloro-2-methylpropan-2-yl)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

Related Compounds

CID 13830608
CID 13830608
CID 60807878
CID 60807878
CID 60932786
CID 60932786
CID 62729071
CID 62729071
CID 62729074
CID 62729074
CID 63680952
CID 63680952
CID 82907121
CID 82907121
CID 82907883
CID 82907883
CID 108106831
CID 108106831
CID 130609797
CID 130609797
CID 130609807
CID 130609807
CID 130609828
CID 130609828

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one?
The IUPAC name of 4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one (CID 131213852) is 4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one is Cn1ccc(NC(C)(CCl)CCl)cc1=O.
What is the InChIKey of 4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one?
The InChIKey is RIHSQMFRVPXGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-10(6-11,7-12)13-8-3-4-14(2)9(15)5-8/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one?
4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one has a molecular weight of 249.14 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dichloro-2-methylpropan-2-yl)amino]-1-methylpyridin-2-one is sourced from PubChem (CID 131213852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).