benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C21H21NO4 — CID 118694401

IUPACbenzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOc1cccc(C2CC(=O)NC(C)=C2C(=O)OCc2ccccc2)c1
InChIInChI=1S/C21H21NO4/c1-14-20(21(24)26-13-15-7-4-3-5-8-15)18(12-19(23)22-14)16-9-6-10-17(11-16)25-2/h3-11,18H,12-13H2,1-2H3,(H,22,23)
InChIKeyYTRQLVNVPYTANL-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.32
Rot. Bonds5

About benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 118694401) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID118694401
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Namebenzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOc1cccc(C2CC(=O)NC(C)=C2C(=O)OCc2ccccc2)c1
InChIInChI=1S/C21H21NO4/c1-14-20(21(24)26-13-15-7-4-3-5-8-15)18(12-19(23)22-14)16-9-6-10-17(11-16)25-2/h3-11,18H,12-13H2,1-2H3,(H,22,23)
InChIKeyYTRQLVNVPYTANL-UHFFFAOYSA-N
XLogP3.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-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 benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 118694401) is benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is COc1cccc(C2CC(=O)NC(C)=C2C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is YTRQLVNVPYTANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-14-20(21(24)26-13-15-7-4-3-5-8-15)18(12-19(23)22-14)16-9-6-10-17(11-16)25-2/h3-11,18H,12-13H2,1-2H3,(H,22,23).
What are the key properties of benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 118694401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).