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

C17H19NO5 — CID 758715

IUPACdimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5/c1-18-9-13(16(19)22-3)15(14(10-18)17(20)23-4)11-5-7-12(21-2)8-6-11/h5-10,15H,1-4H3
InChIKeyHWGPSDDHCMVWHF-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.84
Rot. Bonds4

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

dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 758715) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
PubChem CID758715
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namedimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5/c1-18-9-13(16(19)22-3)15(14(10-18)17(20)23-4)11-5-7-12(21-2)8-6-11/h5-10,15H,1-4H3
InChIKeyHWGPSDDHCMVWHF-UHFFFAOYSA-N
XLogP1.84
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate (CID 758715) is dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(OC)cc1.
What is the InChIKey of dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is HWGPSDDHCMVWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-18-9-13(16(19)22-3)15(14(10-18)17(20)23-4)11-5-7-12(21-2)8-6-11/h5-10,15H,1-4H3.
What are the key properties of dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 317.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 758715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).