3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide

C18H23ClN2O3 — CID 52942055

IUPAC3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCCN(CCCCc2ccc(Cl)cc2)C1=O)NO
InChIInChI=1S/C18H23ClN2O3/c19-16-9-6-14(7-10-16)4-1-2-12-21-13-3-5-15(18(21)23)8-11-17(22)20-24/h5-7,9-10,24H,1-4,8,11-13H2,(H,20,22)
InChIKeyOIGWRWVUPJWCSK-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.11
Rot. Bonds8

About 3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide

3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide (PubChem CID 52942055) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide
PubChem CID52942055
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide
SMILESO=C(CCC1=CCCN(CCCCc2ccc(Cl)cc2)C1=O)NO
InChIInChI=1S/C18H23ClN2O3/c19-16-9-6-14(7-10-16)4-1-2-12-21-13-3-5-15(18(21)23)8-11-17(22)20-24/h5-7,9-10,24H,1-4,8,11-13H2,(H,20,22)
InChIKeyOIGWRWVUPJWCSK-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide (CID 52942055) is 3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide is O=C(CCC1=CCCN(CCCCc2ccc(Cl)cc2)C1=O)NO.
What is the InChIKey of 3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
The InChIKey is OIGWRWVUPJWCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c19-16-9-6-14(7-10-16)4-1-2-12-21-13-3-5-15(18(21)23)8-11-17(22)20-24/h5-7,9-10,24H,1-4,8,11-13H2,(H,20,22).
What are the key properties of 3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide has a molecular weight of 350.85 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(4-chlorophenyl)butyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide is sourced from PubChem (CID 52942055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).