ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate

C15H17NO3 — CID 2864982

IUPACethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1
InChIInChI=1S/C15H17NO3/c1-3-19-15(18)14-10(2)16-13(17)9-12(14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,16,17)
InChIKeyAPYIVQOKMPJKFX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.13
Rot. Bonds3

About ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate

ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 2864982) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID2864982
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1
InChIInChI=1S/C15H17NO3/c1-3-19-15(18)14-10(2)16-13(17)9-12(14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,16,17)
InChIKeyAPYIVQOKMPJKFX-UHFFFAOYSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate (CID 2864982) is ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1.
What is the InChIKey of ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is APYIVQOKMPJKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-19-15(18)14-10(2)16-13(17)9-12(14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate?
ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 2864982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).