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

C18H21NO4 — CID 743976

IUPACdimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C18H21NO4/c1-11-14(17(20)22-4)16(13-9-7-6-8-10-13)15(18(21)23-5)12(2)19(11)3/h6-10,16H,1-5H3
InChIKeyUASXCCOIZXMTDS-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.61
Rot. Bonds3

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

dimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 743976) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is dimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID743976
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namedimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C18H21NO4/c1-11-14(17(20)22-4)16(13-9-7-6-8-10-13)15(18(21)23-5)12(2)19(11)3/h6-10,16H,1-5H3
InChIKeyUASXCCOIZXMTDS-UHFFFAOYSA-N
XLogP2.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.61
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-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate (CID 743976) is dimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1.
What is the InChIKey of dimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is UASXCCOIZXMTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-14(17(20)22-4)16(13-9-7-6-8-10-13)15(18(21)23-5)12(2)19(11)3/h6-10,16H,1-5H3.
What are the key properties of dimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
dimethyl 1,2,6-trimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.61, 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-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 743976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).