2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide

C17H17ClN2O4 — CID 3973125

IUPAC2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide
SMILESCOCCNC(=O)C(C(=O)c1ccccc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C17H17ClN2O4/c1-24-10-9-19-17(23)15(16(22)12-5-3-2-4-6-12)20-11-13(18)7-8-14(20)21/h2-8,11,15H,9-10H2,1H3,(H,19,23)
InChIKeyZQJJQLMYQQVAQB-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.69
Rot. Bonds7

About 2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide

2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide (PubChem CID 3973125) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide
PubChem CID3973125
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide
SMILESCOCCNC(=O)C(C(=O)c1ccccc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C17H17ClN2O4/c1-24-10-9-19-17(23)15(16(22)12-5-3-2-4-6-12)20-11-13(18)7-8-14(20)21/h2-8,11,15H,9-10H2,1H3,(H,19,23)
InChIKeyZQJJQLMYQQVAQB-UHFFFAOYSA-N
XLogP1.69
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of 2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide (CID 3973125) is 2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for 2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide is COCCNC(=O)C(C(=O)c1ccccc1)n1cc(Cl)ccc1=O.
What is the InChIKey of 2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide?
The InChIKey is ZQJJQLMYQQVAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-24-10-9-19-17(23)15(16(22)12-5-3-2-4-6-12)20-11-13(18)7-8-14(20)21/h2-8,11,15H,9-10H2,1H3,(H,19,23).
What are the key properties of 2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide?
2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide has a molecular weight of 348.79 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 3973125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).