dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate

C19H23NO4 — CID 743975

IUPACdimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C)cc1
InChIInChI=1S/C19H23NO4/c1-11-7-9-14(10-8-11)17-15(18(21)23-5)12(2)20(4)13(3)16(17)19(22)24-6/h7-10,17H,1-6H3
InChIKeyXMYVGMGLHBNXAV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.92
Rot. Bonds3

About dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 743975) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID743975
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namedimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C)cc1
InChIInChI=1S/C19H23NO4/c1-11-7-9-14(10-8-11)17-15(18(21)23-5)12(2)20(4)13(3)16(17)19(22)24-6/h7-10,17H,1-6H3
InChIKeyXMYVGMGLHBNXAV-UHFFFAOYSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate (CID 743975) is dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C)cc1.
What is the InChIKey of dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is XMYVGMGLHBNXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-11-7-9-14(10-8-11)17-15(18(21)23-5)12(2)20(4)13(3)16(17)19(22)24-6/h7-10,17H,1-6H3.
What are the key properties of dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,2,6-trimethyl-4-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 743975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).