3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide

C11H15ClN2O2 — CID 62729071

IUPAC3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide
SMILESCCn1cc(NC(=O)C(C)CCl)ccc1=O
InChIInChI=1S/C11H15ClN2O2/c1-3-14-7-9(4-5-10(14)15)13-11(16)8(2)6-12/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)
InChIKeyVWJNXGGNEAAHID-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.68
Rot. Bonds4

About 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide

3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide (PubChem CID 62729071) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide
PubChem CID62729071
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide
SMILESCCn1cc(NC(=O)C(C)CCl)ccc1=O
InChIInChI=1S/C11H15ClN2O2/c1-3-14-7-9(4-5-10(14)15)13-11(16)8(2)6-12/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)
InChIKeyVWJNXGGNEAAHID-UHFFFAOYSA-N
XLogP1.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.68
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-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide (CID 62729071) is 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide is CCn1cc(NC(=O)C(C)CCl)ccc1=O.
What is the InChIKey of 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide?
The InChIKey is VWJNXGGNEAAHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-3-14-7-9(4-5-10(14)15)13-11(16)8(2)6-12/h4-5,7-8H,3,6H2,1-2H3,(H,13,16).
What are the key properties of 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide?
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide has a molecular weight of 242.71 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 62729071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).