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

C20H23NO6 — CID 1087398

IUPACdimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H23NO6/c1-11-15(19(23)26-5)17(16(20(24)27-6)12(2)21(11)3)13-7-9-14(10-8-13)18(22)25-4/h7-10,17H,1-6H3
InChIKeyKRPXKIUVLKBXSJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.40
Rot. Bonds4

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

dimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 1087398) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is dimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
PubChem CID1087398
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namedimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H23NO6/c1-11-15(19(23)26-5)17(16(20(24)27-6)12(2)21(11)3)13-7-9-14(10-8-13)18(22)25-4/h7-10,17H,1-6H3
InChIKeyKRPXKIUVLKBXSJ-UHFFFAOYSA-N
XLogP2.40
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate (CID 1087398) is dimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C(=O)OC)cc1.
What is the InChIKey of dimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is KRPXKIUVLKBXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-11-15(19(23)26-5)17(16(20(24)27-6)12(2)21(11)3)13-7-9-14(10-8-13)18(22)25-4/h7-10,17H,1-6H3.
What are the key properties of dimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 373.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1087398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).