methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate

C22H23NO4 — CID 11523453

IUPACmethyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate
SMILESCOC(=O)C1(C)CC(=O)C(c2ccccc2)=CN1Cc1ccc(OC)cc1
InChIInChI=1S/C22H23NO4/c1-22(21(25)27-3)13-20(24)19(17-7-5-4-6-8-17)15-23(22)14-16-9-11-18(26-2)12-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyAOCZFQOIUGPIEC-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.44
Rot. Bonds5

About methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate

methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate (PubChem CID 11523453) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate
PubChem CID11523453
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Namemethyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate
SMILESCOC(=O)C1(C)CC(=O)C(c2ccccc2)=CN1Cc1ccc(OC)cc1
InChIInChI=1S/C22H23NO4/c1-22(21(25)27-3)13-20(24)19(17-7-5-4-6-8-17)15-23(22)14-16-9-11-18(26-2)12-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyAOCZFQOIUGPIEC-UHFFFAOYSA-N
XLogP3.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328
methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate
CID 11472785
methyl (2S)-1-[(4-methoxyphenyl)methyl]-4-oxo-2-(2-phenylethyl)azetidine-2-carboxylate
CID 102387644
dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
CID 10494793
methyl (2R,3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxylate
CID 135011562
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
N-cycloheptyl-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 20907899
methyl (2R,3R)-3-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 118720751
1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one
CID 56588373
benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 101123268
ethane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-oxopyrrolidine-3-carboxylic acid;molecular hydrogen
CID 145304270
4-methoxy-4-methyl-2-phenylcyclopent-2-en-1-one
CID 15525081

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate?
The IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate (CID 11523453) is methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate?
The canonical SMILES for methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate is COC(=O)C1(C)CC(=O)C(c2ccccc2)=CN1Cc1ccc(OC)cc1.
What is the InChIKey of methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate?
The InChIKey is AOCZFQOIUGPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-22(21(25)27-3)13-20(24)19(17-7-5-4-6-8-17)15-23(22)14-16-9-11-18(26-2)12-10-16/h4-12,15H,13-14H2,1-3H3.
What are the key properties of methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate?
methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methoxyphenyl)methyl]-2-methyl-4-oxo-5-phenyl-3H-pyridine-2-carboxylate is sourced from PubChem (CID 11523453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).