ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate

C27H23NO2 — CID 167433740

IUPACethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)nc1-c1cccc(C)c1
InChIInChI=1S/C27H23NO2/c1-3-30-27(29)25-23(20-12-6-4-7-13-20)18-24(21-14-8-5-9-15-21)28-26(25)22-16-10-11-19(2)17-22/h4-18H,3H2,1-2H3
InChIKeyOKTDSTMLXMLPQT-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.57
Rot. Bonds5

About ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate

ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate (PubChem CID 167433740) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
PubChem CID167433740
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Nameethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)nc1-c1cccc(C)c1
InChIInChI=1S/C27H23NO2/c1-3-30-27(29)25-23(20-12-6-4-7-13-20)18-24(21-14-8-5-9-15-21)28-26(25)22-16-10-11-19(2)17-22/h4-18H,3H2,1-2H3
InChIKeyOKTDSTMLXMLPQT-UHFFFAOYSA-N
XLogP6.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-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

Related Compounds

ethyl 2-methyl-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxylate
CID 10248079
3-O-benzyl 4-O-ethyl 2-methyl-6-(3-methylphenyl)pyridine-3,4-dicarboxylate
CID 102497550
ethyl 5-methyl-2-(3-methylphenyl)-4-phenyl-1H-pyrrole-3-carboxylate
CID 102491425
ethyl 2-bromo-4-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 131867355
ethyl 2-amino-4-(3-methylphenyl)thiophene-3-carboxylate
CID 3713155
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethyl 2-chloro-8-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10614988
diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
CID 102202429
ethyl 6-(butylamino)-2-methyl-4-phenylpyridine-3-carboxylate
CID 71591622
ethyl 2-aminoazulene-1-carboxylate
CID 11458568

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate (CID 167433740) is ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)nc1-c1cccc(C)c1.
What is the InChIKey of ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate?
The InChIKey is OKTDSTMLXMLPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-3-30-27(29)25-23(20-12-6-4-7-13-20)18-24(21-14-8-5-9-15-21)28-26(25)22-16-10-11-19(2)17-22/h4-18H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate?
ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate is sourced from PubChem (CID 167433740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).