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

C19H21NO6 — CID 19232490

IUPACdimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(OC)cc1OC
InChIInChI=1S/C19H21NO6/c1-10-15(18(21)25-5)17(16(11(2)20-10)19(22)26-6)13-8-7-12(23-3)9-14(13)24-4/h7-9H,1-6H3
InChIKeyYAKHAXDCZKZVQS-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.96
Rot. Bonds5

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

dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 19232490) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID19232490
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Namedimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(OC)cc1OC
InChIInChI=1S/C19H21NO6/c1-10-15(18(21)25-5)17(16(11(2)20-10)19(22)26-6)13-8-7-12(23-3)9-14(13)24-4/h7-9H,1-6H3
InChIKeyYAKHAXDCZKZVQS-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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Related Compounds

methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate
CID 177204841
diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
CID 135122096
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 118716252
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
5-(2,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazol-2-amine;formic acid
CID 154905260
5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 79990152
2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874
N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide
CID 134315655
methyl 2,6-dimethoxy-4-[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]benzoate
CID 91487792
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
methyl 3-amino-2-(4-methoxybenzoyl)-6-methyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carboxylate
CID 90469290

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (CID 19232490) is dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(OC)cc1OC.
What is the InChIKey of dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is YAKHAXDCZKZVQS-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)13-8-7-12(23-3)9-14(13)24-4/h7-9H,1-6H3.
What are the key properties of dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
dimethyl 4-(2,4-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-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 19232490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).