ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate

C23H23NO4 — CID 20753278

IUPACethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)n(Cc2ccccc2)c(=O)c1OCc1ccccc1
InChIInChI=1S/C23H23NO4/c1-3-27-23(26)20-14-17(2)24(15-18-10-6-4-7-11-18)22(25)21(20)28-16-19-12-8-5-9-13-19/h4-14H,3,15-16H2,1-2H3
InChIKeyWWMNHZKECPLPRX-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.96
Rot. Bonds7

About ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate

ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate (PubChem CID 20753278) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate
PubChem CID20753278
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Nameethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)n(Cc2ccccc2)c(=O)c1OCc1ccccc1
InChIInChI=1S/C23H23NO4/c1-3-27-23(26)20-14-17(2)24(15-18-10-6-4-7-11-18)22(25)21(20)28-16-19-12-8-5-9-13-19/h4-14H,3,15-16H2,1-2H3
InChIKeyWWMNHZKECPLPRX-UHFFFAOYSA-N
XLogP3.96
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate?
The IUPAC name of ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate (CID 20753278) is ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate?
The canonical SMILES for ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate is CCOC(=O)c1cc(C)n(Cc2ccccc2)c(=O)c1OCc1ccccc1.
What is the InChIKey of ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate?
The InChIKey is WWMNHZKECPLPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-3-27-23(26)20-14-17(2)24(15-18-10-6-4-7-11-18)22(25)21(20)28-16-19-12-8-5-9-13-19/h4-14H,3,15-16H2,1-2H3.
What are the key properties of ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate?
ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylate is sourced from PubChem (CID 20753278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).