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

C17H19NO4 — CID 19589496

IUPACdimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OC)C1
InChIInChI=1S/C17H19NO4/c1-11-14(16(19)21-3)10-15(17(20)22-4)12(2)18(11)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3
InChIKeyIETNQXVPGHLBPI-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.79
Rot. Bonds3

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

dimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 19589496) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID19589496
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namedimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OC)C1
InChIInChI=1S/C17H19NO4/c1-11-14(16(19)21-3)10-15(17(20)22-4)12(2)18(11)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3
InChIKeyIETNQXVPGHLBPI-UHFFFAOYSA-N
XLogP2.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.79
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-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate (CID 19589496) is dimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OC)C1.
What is the InChIKey of dimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is IETNQXVPGHLBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11-14(16(19)21-3)10-15(17(20)22-4)12(2)18(11)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-1-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 301.34 g/mol, XLogP of 2.79, 3 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-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 19589496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).