3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide

C11H15ClN2O2 — CID 63680952

IUPAC3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
SMILESCn1cc(NC(=O)C(C)(C)CCl)ccc1=O
InChIInChI=1S/C11H15ClN2O2/c1-11(2,7-12)10(16)13-8-4-5-9(15)14(3)6-8/h4-6H,7H2,1-3H3,(H,13,16)
InChIKeyHZZKGKORUYNYES-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.59
Rot. Bonds3

About 3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide

3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide (PubChem CID 63680952) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
PubChem CID63680952
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
SMILESCn1cc(NC(=O)C(C)(C)CCl)ccc1=O
InChIInChI=1S/C11H15ClN2O2/c1-11(2,7-12)10(16)13-8-4-5-9(15)14(3)6-8/h4-6H,7H2,1-3H3,(H,13,16)
InChIKeyHZZKGKORUYNYES-UHFFFAOYSA-N
XLogP1.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide (CID 63680952) is 3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide is Cn1cc(NC(=O)C(C)(C)CCl)ccc1=O.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
The InChIKey is HZZKGKORUYNYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-11(2,7-12)10(16)13-8-4-5-9(15)14(3)6-8/h4-6H,7H2,1-3H3,(H,13,16).
What are the key properties of 3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide?
3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide has a molecular weight of 242.71 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide is sourced from PubChem (CID 63680952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).