methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate

C21H19NO3 — CID 57399106

IUPACmethyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C)cc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H19NO3/c1-15-8-10-17(11-9-15)18-12-13-22(14-16-6-4-3-5-7-16)20(23)19(18)21(24)25-2/h3-13H,14H2,1-2H3
InChIKeyZAZRJRGFEISLJD-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.66
Rot. Bonds4

About methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate

methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate (PubChem CID 57399106) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate
PubChem CID57399106
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namemethyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C)cc2)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H19NO3/c1-15-8-10-17(11-9-15)18-12-13-22(14-16-6-4-3-5-7-16)20(23)19(18)21(24)25-2/h3-13H,14H2,1-2H3
InChIKeyZAZRJRGFEISLJD-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-benzyl-4-(4-cyanophenyl)-2-methylpyrrole-3-carboxylate
CID 45139279
1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 56598065
2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6625783
methyl 2-(1-benzyl-4-methyl-2-oxo-3-pyridinyl)butanoate
CID 68540810
methyl 2-(4-methylphenyl)-6-sulfanylbenzoate
CID 102144462
3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10287295
methyl 2-formyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylate
CID 84618010
methyl 1-benzyl-4-(4-bromophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 102498013
methyl 1-[(R)-amino(phenyl)methyl]-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate
CID 102488432
methyl 1-benzyl-4-methylimidazole-2-carboxylate
CID 11470254
methyl 1-benzyl-5-bromo-2-oxopyridine-3-carboxylate
CID 126648415
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate (CID 57399106) is methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate is COC(=O)c1c(-c2ccc(C)cc2)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate?
The InChIKey is ZAZRJRGFEISLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-15-8-10-17(11-9-15)18-12-13-22(14-16-6-4-3-5-7-16)20(23)19(18)21(24)25-2/h3-13H,14H2,1-2H3.
What are the key properties of methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate?
methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 57399106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).