dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

C25H27NO6 — CID 1357611

IUPACdimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OC)C1c1ccc(OC)cc1
InChIInChI=1S/C25H27NO6/c1-15-21(24(27)31-5)23(17-7-11-19(29-3)12-8-17)22(25(28)32-6)16(2)26(15)18-9-13-20(30-4)14-10-18/h7-14,23H,1-6H3
InChIKeyVKKOHZXBRWVCNM-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.20
Rot. Bonds6

About dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 1357611) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
PubChem CID1357611
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Namedimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OC)C1c1ccc(OC)cc1
InChIInChI=1S/C25H27NO6/c1-15-21(24(27)31-5)23(17-7-11-19(29-3)12-8-17)22(25(28)32-6)16(2)26(15)18-9-13-20(30-4)14-10-18/h7-14,23H,1-6H3
InChIKeyVKKOHZXBRWVCNM-UHFFFAOYSA-N
XLogP4.20
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate (CID 1357611) is dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OC)C1c1ccc(OC)cc1.
What is the InChIKey of dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is VKKOHZXBRWVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-15-21(24(27)31-5)23(17-7-11-19(29-3)12-8-17)22(25(28)32-6)16(2)26(15)18-9-13-20(30-4)14-10-18/h7-14,23H,1-6H3.
What are the key properties of dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 437.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1357611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).