N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide

C11H15ClN2O — CID 59165851

IUPACN-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCc1cc(Cl)nc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C11H15ClN2O/c1-7-5-8(12)13-9(6-7)14-10(15)11(2,3)4/h5-6H,1-4H3,(H,13,14,15)
InChIKeyMKINAKFOUCDHLI-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.03
Rot. Bonds1

About N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide

N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 59165851) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide
PubChem CID59165851
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCc1cc(Cl)nc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C11H15ClN2O/c1-7-5-8(12)13-9(6-7)14-10(15)11(2,3)4/h5-6H,1-4H3,(H,13,14,15)
InChIKeyMKINAKFOUCDHLI-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide (CID 59165851) is N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide is Cc1cc(Cl)nc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is MKINAKFOUCDHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7-5-8(12)13-9(6-7)14-10(15)11(2,3)4/h5-6H,1-4H3,(H,13,14,15).
What are the key properties of N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
N-(6-chloro-4-methyl-2-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 226.71 g/mol, XLogP of 3.03, 1 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-2-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 59165851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).