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

C15H17NO3 — CID 10825179

IUPACethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C15H17NO3/c1-2-19-15(18)13-8-9-14(17)16(11-13)10-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyZUYODBWSNQSJEW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.26
Rot. Bonds4

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

ethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 10825179) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID10825179
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C15H17NO3/c1-2-19-15(18)13-8-9-14(17)16(11-13)10-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyZUYODBWSNQSJEW-UHFFFAOYSA-N
XLogP2.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzoyl-4-benzyl-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid ethyl ester
CID 402676
Ethyl 1,4,4-trimethyl-5-(2-phenylethylcarbamoyl)pyridine-3-carboxylate
CID 44338014
Ethyl 1-benzyl-4-oxo-2,3-dihydropyridine-5-carboxylate
CID 44825763
Methyl 2-ethyl-1-oxoisoquinoline-4-carboxylate
CID 100922929
Methyl 1-oxo-2-propylisoquinoline-4-carboxylate
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Ethyl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
CID 6624950
Ethyl 2-isobutyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
CID 22334828
ethyl 2-(1-benzyl-5-ethyl-3,4-dihydro-2H-pyridin-4-yl)acetate
CID 11529370
Ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
CID 14119996
Ethyl 1-benzyl-7-methyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
CID 14119997
ethyl 4-methyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 15011883
Methyl 1-Benzyl-2-oxo-1,2,3,4-tetrahydropyridine-5-carboxylate
CID 10243590

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 10825179) is ethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=CN(Cc2ccccc2)C(=O)CC1.
What is the InChIKey of ethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is ZUYODBWSNQSJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-19-15(18)13-8-9-14(17)16(11-13)10-12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3.
What are the key properties of ethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 10825179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).