ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate

C15H15NO3 — CID 67483630

IUPACethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate
SMILESCCOC(=O)C1C=NC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C15H15NO3/c1-3-19-15(18)12-9-16-10(2)13(14(12)17)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3
InChIKeyRITMKIWMVOOWFK-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.25
Rot. Bonds3

About ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate

ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate (PubChem CID 67483630) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate
PubChem CID67483630
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate
SMILESCCOC(=O)C1C=NC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C15H15NO3/c1-3-19-15(18)12-9-16-10(2)13(14(12)17)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3
InChIKeyRITMKIWMVOOWFK-UHFFFAOYSA-N
XLogP2.25
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl (1R,2S)-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate
CID 92844906
ethyl 6-methyl-4-oxo-3H-quinoline-3-carboxylate
CID 67838027
ethyl (4R,5R)-3-oxo-2,4,5-triphenylcyclopentene-1-carboxylate
CID 132560560
ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
ethyl 6-acetyl-4-oxo-3H-quinoline-3-carboxylate
CID 78205782
ethyl 4-(oxomethylidene)-3H-quinoline-3-carboxylate
CID 156790402
ethyl 6,8-dimethyl-4-oxo-3H-quinoline-3-carboxylate
CID 78199675
ethyl (4S)-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazole-4-carboxylate
CID 794174
ethyl 4-oxo-2-phenyl-1,3-thiazole-5-carboxylate
CID 71610298
ethyl 3-methyl-2-oxo-4,5-diphenylcyclopent-3-ene-1-carboxylate
CID 73311477
ethyl (1S,2R)-2-(4-methoxyphenyl)-5-oxo-3,4-diphenylcyclopent-3-ene-1-carboxylate
CID 16724985
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate (CID 67483630) is ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate is CCOC(=O)C1C=NC(C)=C(c2ccccc2)C1=O.
What is the InChIKey of ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate?
The InChIKey is RITMKIWMVOOWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-19-15(18)12-9-16-10(2)13(14(12)17)11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3.
What are the key properties of ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate?
ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-oxo-5-phenyl-3H-pyridine-3-carboxylate is sourced from PubChem (CID 67483630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).