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

C17H22N2O5 — CID 11302073

IUPAC3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide
SMILESCOc1ccc(CN2CCC=C(CCC(=O)NO)C2=O)c(OC)c1
InChIInChI=1S/C17H22N2O5/c1-23-14-7-5-13(15(10-14)24-2)11-19-9-3-4-12(17(19)21)6-8-16(20)18-22/h4-5,7,10,22H,3,6,8-9,11H2,1-2H3,(H,18,20)
InChIKeyHNWBZHDFSOSCIQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.65
Rot. Bonds7

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

3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide (PubChem CID 11302073) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide
PubChem CID11302073
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide
SMILESCOc1ccc(CN2CCC=C(CCC(=O)NO)C2=O)c(OC)c1
InChIInChI=1S/C17H22N2O5/c1-23-14-7-5-13(15(10-14)24-2)11-19-9-3-4-12(17(19)21)6-8-16(20)18-22/h4-5,7,10,22H,3,6,8-9,11H2,1-2H3,(H,18,20)
InChIKeyHNWBZHDFSOSCIQ-UHFFFAOYSA-N
XLogP1.65
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide (CID 11302073) is 3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide is COc1ccc(CN2CCC=C(CCC(=O)NO)C2=O)c(OC)c1.
What is the InChIKey of 3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
The InChIKey is HNWBZHDFSOSCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-23-14-7-5-13(15(10-14)24-2)11-19-9-3-4-12(17(19)21)6-8-16(20)18-22/h4-5,7,10,22H,3,6,8-9,11H2,1-2H3,(H,18,20).
What are the key properties of 3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide?
3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide has a molecular weight of 334.37 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]-N-hydroxypropanamide is sourced from PubChem (CID 11302073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).