3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate

C18H20N2O4 — CID 71208997

IUPAC3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(N)nc(C)c(C(=O)OC)c1-c1ccc(C)cc1
InChIInChI=1S/C18H20N2O4/c1-5-24-18(22)15-14(12-8-6-10(2)7-9-12)13(17(21)23-4)11(3)20-16(15)19/h6-9H,5H2,1-4H3,(H2,19,20)
InChIKeyCJGHKKMNHVJKGW-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.91
Rot. Bonds4

About 3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate

3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate (PubChem CID 71208997) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate
PubChem CID71208997
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(N)nc(C)c(C(=O)OC)c1-c1ccc(C)cc1
InChIInChI=1S/C18H20N2O4/c1-5-24-18(22)15-14(12-8-6-10(2)7-9-12)13(17(21)23-4)11(3)20-16(15)19/h6-9H,5H2,1-4H3,(H2,19,20)
InChIKeyCJGHKKMNHVJKGW-UHFFFAOYSA-N
XLogP2.91
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate?
The IUPAC name of 3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate (CID 71208997) is 3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate?
The canonical SMILES for 3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate is CCOC(=O)c1c(N)nc(C)c(C(=O)OC)c1-c1ccc(C)cc1.
What is the InChIKey of 3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate?
The InChIKey is CJGHKKMNHVJKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-5-24-18(22)15-14(12-8-6-10(2)7-9-12)13(17(21)23-4)11(3)20-16(15)19/h6-9H,5H2,1-4H3,(H2,19,20).
What are the key properties of 3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate?
3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate is sourced from PubChem (CID 71208997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).