methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate

C20H16ClNO3 — CID 101254874

IUPACmethyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c(C)c1-c1ccccc1
InChIInChI=1S/C20H16ClNO3/c1-13-18(14-6-4-3-5-7-14)17(20(24)25-2)12-22(19(13)23)16-10-8-15(21)9-11-16/h3-12H,1-2H3
InChIKeyBIUCIBXHSACFHP-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.25
Rot. Bonds3

About methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate

methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate (PubChem CID 101254874) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate
PubChem CID101254874
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Namemethyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c(C)c1-c1ccccc1
InChIInChI=1S/C20H16ClNO3/c1-13-18(14-6-4-3-5-7-14)17(20(24)25-2)12-22(19(13)23)16-10-8-15(21)9-11-16/h3-12H,1-2H3
InChIKeyBIUCIBXHSACFHP-UHFFFAOYSA-N
XLogP4.25
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-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 methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate (CID 101254874) is methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate is COC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c(C)c1-c1ccccc1.
What is the InChIKey of methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate?
The InChIKey is BIUCIBXHSACFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-13-18(14-6-4-3-5-7-14)17(20(24)25-2)12-22(19(13)23)16-10-8-15(21)9-11-16/h3-12H,1-2H3.
What are the key properties of methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate?
methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate has a molecular weight of 353.81 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-chlorophenyl)-5-methyl-6-oxo-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 101254874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).