3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide

C15H18N2O3 — CID 11277337

IUPAC3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide
SMILESO=C(CCC1=CCCN(Cc2ccccc2)C1=O)NO
InChIInChI=1S/C15H18N2O3/c18-14(16-20)9-8-13-7-4-10-17(15(13)19)11-12-5-2-1-3-6-12/h1-3,5-7,20H,4,8-11H2,(H,16,18)
InChIKeyVTRRKLMLQRXLMP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.63
Rot. Bonds5

About 3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide

3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide (PubChem CID 11277337) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide.

Molecular Properties

Compound Name3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide
PubChem CID11277337
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide
SMILESO=C(CCC1=CCCN(Cc2ccccc2)C1=O)NO
InChIInChI=1S/C15H18N2O3/c18-14(16-20)9-8-13-7-4-10-17(15(13)19)11-12-5-2-1-3-6-12/h1-3,5-7,20H,4,8-11H2,(H,16,18)
InChIKeyVTRRKLMLQRXLMP-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide?
The IUPAC name of 3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide (CID 11277337) is 3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide.
What is the SMILES notation for 3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide?
The canonical SMILES for 3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide is O=C(CCC1=CCCN(Cc2ccccc2)C1=O)NO.
What is the InChIKey of 3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide?
The InChIKey is VTRRKLMLQRXLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(16-20)9-8-13-7-4-10-17(15(13)19)11-12-5-2-1-3-6-12/h1-3,5-7,20H,4,8-11H2,(H,16,18).
What are the key properties of 3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide?
3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide has a molecular weight of 274.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide is sourced from PubChem (CID 11277337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).