diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

C34H36N2O6 — CID 20561406

IUPACdiethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(/C(=N/c2ccccc2OC)c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1OC
InChIInChI=1S/C34H36N2O6/c1-7-41-33(37)29-22(3)36(32(24-16-10-9-11-17-24)35-26-19-13-15-21-28(26)40-6)23(4)30(34(38)42-8-2)31(29)25-18-12-14-20-27(25)39-5/h9-21,31H,7-8H2,1-6H3/b35-32+
InChIKeyNFNVPFBDAKCGIC-LVYIWIAJSA-N
MW568.67 g/mol
LogP6.56
Rot. Bonds9

About diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 20561406) has the molecular formula C34H36N2O6 and a molecular weight of 568.67 g/mol. Its IUPAC name is diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
PubChem CID20561406
Molecular FormulaC34H36N2O6
Molecular Weight568.67 g/mol
Exact Mass568.26
IUPAC Namediethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(/C(=N/c2ccccc2OC)c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1OC
InChIInChI=1S/C34H36N2O6/c1-7-41-33(37)29-22(3)36(32(24-16-10-9-11-17-24)35-26-19-13-15-21-28(26)40-6)23(4)30(34(38)42-8-2)31(29)25-18-12-14-20-27(25)39-5/h9-21,31H,7-8H2,1-6H3/b35-32+
InChIKeyNFNVPFBDAKCGIC-LVYIWIAJSA-N
XLogP6.56
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-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

diethyl 1-[N-(2,2-dimethylpropyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 20561391
diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 23826620
4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
CID 22299165
ethyl 6-(2-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2864928
ethyl (4R)-4-(2-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 741205
diethyl 4-(2-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 2748276
CID 158970570
CID 158970570
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271
diethyl 1,2,6-trimethyl-4-naphthalen-1-yl-4H-pyridine-3,5-dicarboxylate
CID 15170358
ethyl 4-(2-methoxyphenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584118
ethyl 4-(2-methoxyphenyl)-2,6-dimethyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 13389009
diethyl 1-ethyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
CID 139939569

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate (CID 20561406) is diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(/C(=N/c2ccccc2OC)c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1OC.
What is the InChIKey of diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is NFNVPFBDAKCGIC-LVYIWIAJSA-N. The full InChI is InChI=1S/C34H36N2O6/c1-7-41-33(37)29-22(3)36(32(24-16-10-9-11-17-24)35-26-19-13-15-21-28(26)40-6)23(4)30(34(38)42-8-2)31(29)25-18-12-14-20-27(25)39-5/h9-21,31H,7-8H2,1-6H3/b35-32+.
What are the key properties of diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 568.67 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(2-methoxyphenyl)-1-[N-(2-methoxyphenyl)-C-phenylcarbonimidoyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 20561406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).