methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate

C15H15NO3 — CID 91406390

IUPACmethyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(-c2ccc(C)c(C)c2)c(=O)c1
InChIInChI=1S/C15H15NO3/c1-10-4-5-13(8-11(10)2)16-7-6-12(9-14(16)17)15(18)19-3/h4-9H,1-3H3
InChIKeyLICYPFZUSJXNFN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.24
Rot. Bonds2

About methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate

methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate (PubChem CID 91406390) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate
PubChem CID91406390
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(-c2ccc(C)c(C)c2)c(=O)c1
InChIInChI=1S/C15H15NO3/c1-10-4-5-13(8-11(10)2)16-7-6-12(9-14(16)17)15(18)19-3/h4-9H,1-3H3
InChIKeyLICYPFZUSJXNFN-UHFFFAOYSA-N
XLogP2.24
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate
CID 58580277
methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate
CID 46868567
methyl 3-(2-bromoacetyl)-4-methylbenzoate
CID 90021973
1-(4-carboxyphenyl)-2-oxopyridine-4-carboxylic acid
CID 59610578
methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172993340
methyl 5-amino-1-(3,4-dimethylphenyl)-2-methylimidazole-4-carboxylate
CID 103544306
dimethyl 1-(3,4-dimethylphenyl)triazole-4,5-dicarboxylate
CID 7184649
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340
ethane;methyl 3-amino-4-methylbenzoate
CID 142981906
4-[(4-chlorophenoxy)methyl]-1-(3,4-dimethylphenyl)pyridin-2-one
CID 91088883
methyl 3-(2-bromoimidazol-1-yl)benzoate
CID 172993276
methyl 3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-4-methylbenzoate
CID 54724193

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate?
The IUPAC name of methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate (CID 91406390) is methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate.
What is the SMILES notation for methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate?
The canonical SMILES for methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate is COC(=O)c1ccn(-c2ccc(C)c(C)c2)c(=O)c1.
What is the InChIKey of methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate?
The InChIKey is LICYPFZUSJXNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-4-5-13(8-11(10)2)16-7-6-12(9-14(16)17)15(18)19-3/h4-9H,1-3H3.
What are the key properties of methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate?
methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 91406390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).