methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate

C22H21NO4 — CID 169227211

IUPACmethyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1-c1cc(C)n(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C22H21NO4/c1-15-11-17(12-21(24)23(15)14-16-7-5-4-6-8-16)20-13-18(26-2)9-10-19(20)22(25)27-3/h4-13H,14H2,1-3H3
InChIKeyREYRGTBSFUCGCS-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.67
Rot. Bonds5

About methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate

methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate (PubChem CID 169227211) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate
PubChem CID169227211
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Namemethyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1-c1cc(C)n(Cc2ccccc2)c(=O)c1
InChIInChI=1S/C22H21NO4/c1-15-11-17(12-21(24)23(15)14-16-7-5-4-6-8-16)20-13-18(26-2)9-10-19(20)22(25)27-3/h4-13H,14H2,1-3H3
InChIKeyREYRGTBSFUCGCS-UHFFFAOYSA-N
XLogP3.67
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-benzyl-2-fluoro-6-oxo-4-pyridinyl)benzoate
CID 169227202
2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-N,N-dimethylbenzamide
CID 169227231
methyl 1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)pyrrole-3-carboxylate
CID 101437272
methyl 2-benzyl-4-methoxybenzoate
CID 166447478
[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 7726496
dimethyl 1-benzyl-5-methylpyrrole-2,4-dicarboxylate
CID 11818528
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672322
1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 102596732
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635550
methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
CID 10805572
methyl 4-acetyl-1-benzyl-5-methylpyrrole-2-carboxylate
CID 12027879

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate?
The IUPAC name of methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate (CID 169227211) is methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate.
What is the SMILES notation for methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate?
The canonical SMILES for methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1-c1cc(C)n(Cc2ccccc2)c(=O)c1.
What is the InChIKey of methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate?
The InChIKey is REYRGTBSFUCGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-15-11-17(12-21(24)23(15)14-16-7-5-4-6-8-16)20-13-18(26-2)9-10-19(20)22(25)27-3/h4-13H,14H2,1-3H3.
What are the key properties of methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate?
methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate has a molecular weight of 363.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzyl-2-methyl-6-oxo-4-pyridinyl)-4-methoxybenzoate is sourced from PubChem (CID 169227211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).