N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide

C12H16Cl2N2O — CID 4598765

IUPACN-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide
SMILESCc1nc(Cl)c(NC(=O)CC(C)C)c(C)c1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-6(2)5-9(17)16-11-7(3)10(13)8(4)15-12(11)14/h6H,5H2,1-4H3,(H,16,17)
InChIKeyOZESCUCEEQAOKE-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.99
Rot. Bonds3

About N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide

N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide (PubChem CID 4598765) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide
PubChem CID4598765
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide
SMILESCc1nc(Cl)c(NC(=O)CC(C)C)c(C)c1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-6(2)5-9(17)16-11-7(3)10(13)8(4)15-12(11)14/h6H,5H2,1-4H3,(H,16,17)
InChIKeyOZESCUCEEQAOKE-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide 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-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide?
The IUPAC name of N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide (CID 4598765) is N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide?
The canonical SMILES for N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide is Cc1nc(Cl)c(NC(=O)CC(C)C)c(C)c1Cl.
What is the InChIKey of N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide?
The InChIKey is OZESCUCEEQAOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-6(2)5-9(17)16-11-7(3)10(13)8(4)15-12(11)14/h6H,5H2,1-4H3,(H,16,17).
What are the key properties of N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide?
N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide has a molecular weight of 275.18 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 4598765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).