ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate

C21H19NO3 — CID 14075368

IUPACethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)n(C)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H19NO3/c1-3-25-21(24)19-18(23)14-17(15-10-6-4-7-11-15)22(2)20(19)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyJNIFOYVKBUIXHC-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.90
Rot. Bonds4

About ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate

ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate (PubChem CID 14075368) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
PubChem CID14075368
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Nameethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)n(C)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H19NO3/c1-3-25-21(24)19-18(23)14-17(15-10-6-4-7-11-15)22(2)20(19)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyJNIFOYVKBUIXHC-UHFFFAOYSA-N
XLogP3.90
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
CID 22159888
1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
CID 14075377
ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate
CID 1257583
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
ethyl 1-butyl-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
CID 102196273
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
diethyl 1-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3,4-dicarboxylate
CID 11525344
ethyl 2-aminoazulene-1-carboxylate
CID 11458568
ethyl 1-butyl-5-phenyl-2-propylpyrrole-3-carboxylate
CID 102196268
ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate
CID 71694793
(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-phenylindol-4-yl)methanesulfonic acid
CID 87437248
ethyl 4-amino-5-(3-ethoxyphenyl)-1,2-dimethylpyrrole-3-carboxylate
CID 28805859

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate (CID 14075368) is ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)n(C)c(-c2ccccc2)cc1=O.
What is the InChIKey of ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate?
The InChIKey is JNIFOYVKBUIXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-3-25-21(24)19-18(23)14-17(15-10-6-4-7-11-15)22(2)20(19)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate?
ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate is sourced from PubChem (CID 14075368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).