dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate

C25H26ClNO5 — CID 1305328

IUPACdimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOc1ccccc1C1C(C(=O)OC)=CN(CCc2ccc(Cl)cc2)C=C1C(=O)OC
InChIInChI=1S/C25H26ClNO5/c1-4-32-22-8-6-5-7-19(22)23-20(24(28)30-2)15-27(16-21(23)25(29)31-3)14-13-17-9-11-18(26)12-10-17/h5-12,15-16,23H,4,13-14H2,1-3H3
InChIKeyWVZAYVGNVVTNNM-UHFFFAOYSA-N
MW455.94 g/mol
LogP4.49
Rot. Bonds8

About dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 1305328) has the molecular formula C25H26ClNO5 and a molecular weight of 455.94 g/mol. Its IUPAC name is dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID1305328
Molecular FormulaC25H26ClNO5
Molecular Weight455.94 g/mol
Exact Mass455.15
IUPAC Namedimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOc1ccccc1C1C(C(=O)OC)=CN(CCc2ccc(Cl)cc2)C=C1C(=O)OC
InChIInChI=1S/C25H26ClNO5/c1-4-32-22-8-6-5-7-19(22)23-20(24(28)30-2)15-27(16-21(23)25(29)31-3)14-13-17-9-11-18(26)12-10-17/h5-12,15-16,23H,4,13-14H2,1-3H3
InChIKeyWVZAYVGNVVTNNM-UHFFFAOYSA-N
XLogP4.49
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate 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

dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2948981
dimethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethoxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2966059
dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(5-methylthiophen-2-yl)-4H-pyridine-3,5-dicarboxylate
CID 1307447
dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2172343
dimethyl 1-[(4-chlorophenyl)methyl]-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 175446612
dimethyl 4-(2-bromophenyl)-1-butyl-4H-pyridine-3,5-dicarboxylate
CID 2194715
dimethyl 1-benzyl-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1295292
dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(2-butoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 4550610
dimethyl 1-butyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 2195084
dimethyl 4-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 1287213
dimethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4H-pyridine-3,5-dicarboxylate
CID 1295689
dimethyl 1-[(4-chlorophenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 4591437

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 1305328) is dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate is CCOc1ccccc1C1C(C(=O)OC)=CN(CCc2ccc(Cl)cc2)C=C1C(=O)OC.
What is the InChIKey of dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is WVZAYVGNVVTNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO5/c1-4-32-22-8-6-5-7-19(22)23-20(24(28)30-2)15-27(16-21(23)25(29)31-3)14-13-17-9-11-18(26)12-10-17/h5-12,15-16,23H,4,13-14H2,1-3H3.
What are the key properties of dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 455.94 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1305328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).