diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate

C26H27NO5 — CID 19232497

IUPACdiethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H27NO5/c1-5-30-25(28)22-17(3)27-18(4)23(26(29)31-6-2)24(22)20-13-10-14-21(15-20)32-16-19-11-8-7-9-12-19/h7-15H,5-6,16H2,1-4H3
InChIKeySDBNZCNKRQSXLB-UHFFFAOYSA-N
MW433.50 g/mol
LogP5.30
Rot. Bonds8

About diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate (PubChem CID 19232497) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
PubChem CID19232497
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Namediethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C26H27NO5/c1-5-30-25(28)22-17(3)27-18(4)23(26(29)31-6-2)24(22)20-13-10-14-21(15-20)32-16-19-11-8-7-9-12-19/h7-15H,5-6,16H2,1-4H3
InChIKeySDBNZCNKRQSXLB-UHFFFAOYSA-N
XLogP5.30
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 4-[4-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232718
dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232495
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
diethyl 4-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232686
3-O-benzyl 4-O-ethyl 2-methyl-6-(3-methylphenyl)pyridine-3,4-dicarboxylate
CID 102497550
ethyl 4-amino-6-methyl-2-(phenoxymethyl)pyrimidine-5-carboxylate
CID 116647779
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
diethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 135662922
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
3-O-(2-methoxyethyl) 5-O-(3-phenylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
CID 139592469
2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633633

Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate (CID 19232497) is diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate is CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(OCc2ccccc2)c1.
What is the InChIKey of diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate?
The InChIKey is SDBNZCNKRQSXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-5-30-25(28)22-17(3)27-18(4)23(26(29)31-6-2)24(22)20-13-10-14-21(15-20)32-16-19-11-8-7-9-12-19/h7-15H,5-6,16H2,1-4H3.
What are the key properties of diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate has a molecular weight of 433.50 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate is sourced from PubChem (CID 19232497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).