diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

C19H22N2O4 — CID 2229373

IUPACdiethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(N)c1
InChIInChI=1S/C19H22N2O4/c1-5-24-18(22)15-11(3)21-12(4)16(19(23)25-6-2)17(15)13-8-7-9-14(20)10-13/h7-10H,5-6,20H2,1-4H3
InChIKeyCFBDQQYTVXYZLD-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.30
Rot. Bonds5

About diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 2229373) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID2229373
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namediethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(N)c1
InChIInChI=1S/C19H22N2O4/c1-5-24-18(22)15-11(3)21-12(4)16(19(23)25-6-2)17(15)13-8-7-9-14(20)10-13/h7-10H,5-6,20H2,1-4H3
InChIKeyCFBDQQYTVXYZLD-UHFFFAOYSA-N
XLogP3.30
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate (CID 2229373) is diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(N)c1.
What is the InChIKey of diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is CFBDQQYTVXYZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-5-24-18(22)15-11(3)21-12(4)16(19(23)25-6-2)17(15)13-8-7-9-14(20)10-13/h7-10H,5-6,20H2,1-4H3.
What are the key properties of diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate?
diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 2229373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).