N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide

C13H19ClN2O2 — CID 118544259

IUPACN-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide
SMILESCc1cc(=O)c(CNC(=O)C(C)(C)C)c(Cl)n1C
InChIInChI=1S/C13H19ClN2O2/c1-8-6-10(17)9(11(14)16(8)5)7-15-12(18)13(2,3)4/h6H,7H2,1-5H3,(H,15,18)
InChIKeyXSDLBGIKOOPJHL-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.01
Rot. Bonds2

About N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide

N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide (PubChem CID 118544259) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide
PubChem CID118544259
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide
SMILESCc1cc(=O)c(CNC(=O)C(C)(C)C)c(Cl)n1C
InChIInChI=1S/C13H19ClN2O2/c1-8-6-10(17)9(11(14)16(8)5)7-15-12(18)13(2,3)4/h6H,7H2,1-5H3,(H,15,18)
InChIKeyXSDLBGIKOOPJHL-UHFFFAOYSA-N
XLogP2.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide 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 N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide (CID 118544259) is N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide is Cc1cc(=O)c(CNC(=O)C(C)(C)C)c(Cl)n1C.
What is the InChIKey of N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is XSDLBGIKOOPJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8-6-10(17)9(11(14)16(8)5)7-15-12(18)13(2,3)4/h6H,7H2,1-5H3,(H,15,18).
What are the key properties of N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide?
N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,6-dimethyl-4-oxo-3-pyridinyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118544259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).