3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide

C11H15ClN2O — CID 63680516

IUPAC3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)C(C)(C)CCl
InChIInChI=1S/C11H15ClN2O/c1-8-5-4-6-13-9(8)14-10(15)11(2,3)7-12/h4-6H,7H2,1-3H3,(H,13,14,15)
InChIKeyMWRQNNCUWQEDAT-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.59
Rot. Bonds3

About 3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide

3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 63680516) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
PubChem CID63680516
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)C(C)(C)CCl
InChIInChI=1S/C11H15ClN2O/c1-8-5-4-6-13-9(8)14-10(15)11(2,3)7-12/h4-6H,7H2,1-3H3,(H,13,14,15)
InChIKeyMWRQNNCUWQEDAT-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Acetamidopyridine
CID 72929
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
N-(pyridin-2-yl)prop-2-enamide
CID 9920419
3-oxo-N-2-pyridylbutyramide
CID 74260
2-Acetamido-5-chloropyridine
CID 798653
2-(Pivaloylamino)pyridine
CID 1051519
N-(5-chloropyridin-2-yl)-2-methylpentanamide
CID 2889757
N-(5-chloropyridin-2-yl)cyclopropanecarboxamide
CID 686089
Urea, 1-(2-chloroethyl)-3-(2-pyridyl)-
CID 98714
N-methyl-N-(pyridin-2-yl)acetamide
CID 3786664
2-Chloro-N-pyridin-2-yl-acetamide
CID 289435
2-cyano-N-(pyridin-2-yl)acetamide
CID 706187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide (CID 63680516) is 3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide is Cc1cccnc1NC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide?
The InChIKey is MWRQNNCUWQEDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-5-4-6-13-9(8)14-10(15)11(2,3)7-12/h4-6H,7H2,1-3H3,(H,13,14,15).
What are the key properties of 3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide?
3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 226.71 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 63680516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).