N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide

C11H15ClN2O — CID 130163146

IUPACN-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cnc(Cl)cc1C
InChIInChI=1S/C11H15ClN2O/c1-4-7(2)11(15)14-9-6-13-10(12)5-8(9)3/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyYGPFBQIHEVVRBB-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.03
Rot. Bonds3

About N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide

N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide (PubChem CID 130163146) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
PubChem CID130163146
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cnc(Cl)cc1C
InChIInChI=1S/C11H15ClN2O/c1-4-7(2)11(15)14-9-6-13-10(12)5-8(9)3/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyYGPFBQIHEVVRBB-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(6-chloro-4-methyl-3-pyridinyl)-2-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-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide (CID 130163146) is N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide is CCC(C)C(=O)Nc1cnc(Cl)cc1C.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide?
The InChIKey is YGPFBQIHEVVRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-4-7(2)11(15)14-9-6-13-10(12)5-8(9)3/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide?
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide has a molecular weight of 226.71 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide is sourced from PubChem (CID 130163146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).