methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate

C20H17NO3 — CID 10860149

IUPACmethyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)n(C)c1=O
InChIInChI=1S/C20H17NO3/c1-21-18(15-11-7-4-8-12-15)16(14-9-5-3-6-10-14)13-17(19(21)22)20(23)24-2/h3-13H,1-2H3
InChIKeyYNMUMZXMMNJDIN-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.51
Rot. Bonds3

About methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate

methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate (PubChem CID 10860149) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate
PubChem CID10860149
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)n(C)c1=O
InChIInChI=1S/C20H17NO3/c1-21-18(15-11-7-4-8-12-15)16(14-9-5-3-6-10-14)13-17(19(21)22)20(23)24-2/h3-13H,1-2H3
InChIKeyYNMUMZXMMNJDIN-UHFFFAOYSA-N
XLogP3.51
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate?
The IUPAC name of methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate (CID 10860149) is methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate is COC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)n(C)c1=O.
What is the InChIKey of methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate?
The InChIKey is YNMUMZXMMNJDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-21-18(15-11-7-4-8-12-15)16(14-9-5-3-6-10-14)13-17(19(21)22)20(23)24-2/h3-13H,1-2H3.
What are the key properties of methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate?
methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2-oxo-5,6-diphenylpyridine-3-carboxylate is sourced from PubChem (CID 10860149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).