dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

C19H21NO6 — CID 632200

IUPACdimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21NO6/c1-10-15(18(21)25-5)17(16(11(2)20-10)19(22)26-6)12-7-8-13(23-3)14(9-12)24-4/h7-9H,1-6H3
InChIKeyLVTLPDVTKBJRAU-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.96
Rot. Bonds5

About dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 632200) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID632200
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Namedimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21NO6/c1-10-15(18(21)25-5)17(16(11(2)20-10)19(22)26-6)12-7-8-13(23-3)14(9-12)24-4/h7-9H,1-6H3
InChIKeyLVTLPDVTKBJRAU-UHFFFAOYSA-N
XLogP2.96
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (CID 632200) is dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is LVTLPDVTKBJRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-10-15(18(21)25-5)17(16(11(2)20-10)19(22)26-6)12-7-8-13(23-3)14(9-12)24-4/h7-9H,1-6H3.
What are the key properties of dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 359.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 632200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).