ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C16H17NO4 — CID 54705933

IUPACethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(Cc2ccccc2)c1O
InChIInChI=1S/C16H17NO4/c1-3-21-16(20)13-10(2)17-15(19)12(14(13)18)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,17,18,19)
InChIKeyIPKPUVWVXUTHNB-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.16
Rot. Bonds4

About ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 54705933) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID54705933
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Nameethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c(Cc2ccccc2)c1O
InChIInChI=1S/C16H17NO4/c1-3-21-16(20)13-10(2)17-15(19)12(14(13)18)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,17,18,19)
InChIKeyIPKPUVWVXUTHNB-UHFFFAOYSA-N
XLogP2.16
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propyl-1,6-dihydro-3-pyridinecarboxylate
CID 54694325
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate
CID 70690900
ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688817
methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70690901
Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1,6-dihydropyridine-3-carboxylate
CID 54688712
(1,3-Dihydroxy-5,6-dihydrobenzo[f]quinolin-2-yl)methyl acetate
CID 54704028
ethyl 4-(4-fluorophenyl)-5-(hydroxymethyl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxylate
CID 19810935
2-[(6-Ethoxy-6-fluoro-4-phenylcyclohexa-1,3-dien-1-yl)carbamoyl]cyclopentene-1-carboxylic acid
CID 69886552
ethyl 6-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 71654902
ethyl 5-[(2-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 129080057
ethyl 5-[(3-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 129080080
ethyl 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylate
CID 129080102

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 54705933) is ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C)[nH]c(=O)c(Cc2ccccc2)c1O.
What is the InChIKey of ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is IPKPUVWVXUTHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-21-16(20)13-10(2)17-15(19)12(14(13)18)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,17,18,19).
What are the key properties of ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzyl-4-hydroxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54705933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).