dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate

C19H23NO7 — CID 1094439

IUPACdimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H23NO7/c1-20-9-12(18(21)26-5)16(13(10-20)19(22)27-6)11-7-14(23-2)17(25-4)15(8-11)24-3/h7-10,16H,1-6H3
InChIKeySLEPPVDXMLTFAE-UHFFFAOYSA-N
MW377.39 g/mol
LogP1.86
Rot. Bonds6

About dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 1094439) has the molecular formula C19H23NO7 and a molecular weight of 377.39 g/mol. Its IUPAC name is dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID1094439
Molecular FormulaC19H23NO7
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC Namedimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H23NO7/c1-20-9-12(18(21)26-5)16(13(10-20)19(22)27-6)11-7-14(23-2)17(25-4)15(8-11)24-3/h7-10,16H,1-6H3
InChIKeySLEPPVDXMLTFAE-UHFFFAOYSA-N
XLogP1.86
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 1094439) is dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is SLEPPVDXMLTFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO7/c1-20-9-12(18(21)26-5)16(13(10-20)19(22)27-6)11-7-14(23-2)17(25-4)15(8-11)24-3/h7-10,16H,1-6H3.
What are the key properties of dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 377.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1094439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).