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

C16H19NO3 — CID 10858660

IUPACethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C16H19NO3/c1-3-20-16(19)14-9-10-15(18)17(12(14)2)11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3
InChIKeyVEAQWKUTPSSGEX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.65
Rot. Bonds4

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

ethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 10858660) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID10858660
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C16H19NO3/c1-3-20-16(19)14-9-10-15(18)17(12(14)2)11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3
InChIKeyVEAQWKUTPSSGEX-UHFFFAOYSA-N
XLogP2.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 5-(ethylcarbamoyl)-2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylate
CID 10501925
Ethyl 5-[(ethylamino)carbonyl]-1,4-dihydro-6-methyl-2-phenyl-4-(2-phenylethynyl)-3-pyridinecarboxylate
CID 11796069
Ethyl 2-acetyl-3-phenyl-1,2-dihydro-4-isoquinolinecarboxylate
CID 372864
1-Ethoxymethyl-5-ethylcarbamoyl-2-methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester
CID 10672116
Ethyl 1,4,4-trimethyl-5-(2-phenylethylcarbamoyl)pyridine-3-carboxylate
CID 44338014
Methyl 4-(2,4-difluorophenyl)-1-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 46049433
Methyl 4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 46049436
1-Methyl-2,4-diethyl-3-(ethylsulfanylcarbonyl)5-ethyloxycarbonyl-6-phenyl-1,4-dihydropyridine
CID 18625670
ethyl 6-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 139241441
ethyl 6-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 139241442
ethyl 6-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 139241443
ethyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 139241446

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 10858660) is ethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)CC1.
What is the InChIKey of ethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is VEAQWKUTPSSGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-20-16(19)14-9-10-15(18)17(12(14)2)11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3.
What are the key properties of ethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 10858660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).