dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate

C23H23NO4 — CID 1015744

IUPACdimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C23H23NO4/c1-15-19(22(25)27-3)21(17-11-7-5-8-12-17)20(23(26)28-4)16(2)24(15)18-13-9-6-10-14-18/h5-14,21H,1-4H3
InChIKeyRVKKBEQUIXKJEV-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.18
Rot. Bonds4

About dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 1015744) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID1015744
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namedimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C23H23NO4/c1-15-19(22(25)27-3)21(17-11-7-5-8-12-17)20(23(26)28-4)16(2)24(15)18-13-9-6-10-14-18/h5-14,21H,1-4H3
InChIKeyRVKKBEQUIXKJEV-UHFFFAOYSA-N
XLogP4.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate (CID 1015744) is dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OC)C1c1ccccc1.
What is the InChIKey of dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is RVKKBEQUIXKJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15-19(22(25)27-3)21(17-11-7-5-8-12-17)20(23(26)28-4)16(2)24(15)18-13-9-6-10-14-18/h5-14,21H,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-1,4-diphenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1015744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).