ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate

C15H17NO4 — CID 59575769

IUPACethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate
SMILESCCOC(=O)C1=C(O)CN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C15H17NO4/c1-2-20-15(19)12-8-14(18)16(10-13(12)17)9-11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3
InChIKeyZJCSSAVUFFCYCC-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.79
Rot. Bonds4

About ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate

ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate (PubChem CID 59575769) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate
PubChem CID59575769
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate
SMILESCCOC(=O)C1=C(O)CN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C15H17NO4/c1-2-20-15(19)12-8-14(18)16(10-13(12)17)9-11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3
InChIKeyZJCSSAVUFFCYCC-UHFFFAOYSA-N
XLogP1.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate?
The IUPAC name of ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate (CID 59575769) is ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate?
The canonical SMILES for ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate is CCOC(=O)C1=C(O)CN(Cc2ccccc2)C(=O)C1.
What is the InChIKey of ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate?
The InChIKey is ZJCSSAVUFFCYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-20-15(19)12-8-14(18)16(10-13(12)17)9-11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3.
What are the key properties of ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate?
ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate is sourced from PubChem (CID 59575769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).