methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C15H15NO3 — CID 70690901

IUPACmethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C15H15NO3/c1-10-13(15(18)19-2)9-12(14(17)16-10)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyYZBNCMYXGFPGCS-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.06
Rot. Bonds3

About methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate

methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 70690901) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID70690901
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C15H15NO3/c1-10-13(15(18)19-2)9-12(14(17)16-10)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyYZBNCMYXGFPGCS-UHFFFAOYSA-N
XLogP2.06
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 70690901) is methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1cc(Cc2ccccc2)c(=O)[nH]c1C.
What is the InChIKey of methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is YZBNCMYXGFPGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-13(15(18)19-2)9-12(14(17)16-10)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 70690901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).