diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

C25H33NO6 — CID 19232519

IUPACdiethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCCCCOc1ccc(-c2c(C(=O)OCC)c(C)nc(C)c2C(=O)OCC)cc1OC
InChIInChI=1S/C25H33NO6/c1-7-10-11-14-32-19-13-12-18(15-20(19)29-6)23-21(24(27)30-8-2)16(4)26-17(5)22(23)25(28)31-9-3/h12-13,15H,7-11,14H2,1-6H3
InChIKeyVDZHVAYTQBSPGY-UHFFFAOYSA-N
MW443.54 g/mol
LogP5.30
Rot. Bonds11

About diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 19232519) has the molecular formula C25H33NO6 and a molecular weight of 443.54 g/mol. Its IUPAC name is diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID19232519
Molecular FormulaC25H33NO6
Molecular Weight443.54 g/mol
Exact Mass443.23
IUPAC Namediethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCCCCOc1ccc(-c2c(C(=O)OCC)c(C)nc(C)c2C(=O)OCC)cc1OC
InChIInChI=1S/C25H33NO6/c1-7-10-11-14-32-19-13-12-18(15-20(19)29-6)23-21(24(27)30-8-2)16(4)26-17(5)22(23)25(28)31-9-3/h12-13,15H,7-11,14H2,1-6H3
InChIKeyVDZHVAYTQBSPGY-UHFFFAOYSA-N
XLogP5.30
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 11291749
ethyl 5-(4-hexoxy-3-methoxyphenyl)-2H-triazole-4-carboxylate
CID 169400179
diethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 135662922
diethyl 4-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232686
diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
CID 135122096
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
dimethyl 4-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232537
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
ethyl 2-acetyl-3-amino-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 118716257
diethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 135662920
5-(3-methoxy-4-pentoxyphenyl)-2H-triazole-4-carboxamide
CID 169402811
diethyl 4-[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232608

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (CID 19232519) is diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is CCCCCOc1ccc(-c2c(C(=O)OCC)c(C)nc(C)c2C(=O)OCC)cc1OC.
What is the InChIKey of diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is VDZHVAYTQBSPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO6/c1-7-10-11-14-32-19-13-12-18(15-20(19)29-6)23-21(24(27)30-8-2)16(4)26-17(5)22(23)25(28)31-9-3/h12-13,15H,7-11,14H2,1-6H3.
What are the key properties of diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 443.54 g/mol, XLogP of 5.30, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(3-methoxy-4-pentoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 19232519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).