N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide

C12H17ClN2O — CID 103730445

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide
SMILESCc1cc(NC(=O)CC(C)(C)C)cnc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8-5-9(7-14-11(8)13)15-10(16)6-12(2,3)4/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyUQUPCZBUWCFGMA-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.42
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide

N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide (PubChem CID 103730445) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide
PubChem CID103730445
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide
SMILESCc1cc(NC(=O)CC(C)(C)C)cnc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8-5-9(7-14-11(8)13)15-10(16)6-12(2,3)4/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyUQUPCZBUWCFGMA-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.42
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-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide 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-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide (CID 103730445) is N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide is Cc1cc(NC(=O)CC(C)(C)C)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide?
The InChIKey is UQUPCZBUWCFGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-5-9(7-14-11(8)13)15-10(16)6-12(2,3)4/h5,7H,6H2,1-4H3,(H,15,16).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide?
N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide has a molecular weight of 240.73 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103730445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).