methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate

C20H17NO3 — CID 57393891

IUPACmethyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H17NO3/c1-24-20(23)18-17(16-10-6-3-7-11-16)12-13-21(19(18)22)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3
InChIKeyHELJFDCFGPEQOH-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.35
Rot. Bonds4

About methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate

methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate (PubChem CID 57393891) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate
PubChem CID57393891
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H17NO3/c1-24-20(23)18-17(16-10-6-3-7-11-16)12-13-21(19(18)22)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3
InChIKeyHELJFDCFGPEQOH-UHFFFAOYSA-N
XLogP3.35
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate (CID 57393891) is methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate is COC(=O)c1c(-c2ccccc2)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate?
The InChIKey is HELJFDCFGPEQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-24-20(23)18-17(16-10-6-3-7-11-16)12-13-21(19(18)22)14-15-8-4-2-5-9-15/h2-13H,14H2,1H3.
What are the key properties of methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate?
methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 57393891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).