methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate

C20H17NO3 — CID 90822779

IUPACmethyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cc2ccccc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C20H17NO3/c1-24-20(23)18-16(12-14-8-4-2-5-9-14)13-17(21-19(18)22)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,21,22)
InChIKeyTVZJOMBTIRHVMQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.42
Rot. Bonds4

About methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate

methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate (PubChem CID 90822779) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
PubChem CID90822779
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cc2ccccc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C20H17NO3/c1-24-20(23)18-16(12-14-8-4-2-5-9-14)13-17(21-19(18)22)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,21,22)
InChIKeyTVZJOMBTIRHVMQ-UHFFFAOYSA-N
XLogP3.42
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate (CID 90822779) is methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate is COC(=O)c1c(Cc2ccccc2)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is TVZJOMBTIRHVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-24-20(23)18-16(12-14-8-4-2-5-9-14)13-17(21-19(18)22)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,21,22).
What are the key properties of methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 90822779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).