diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate

C20H23N3O4 — CID 54341007

IUPACdiethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N=C(N)C(C)(C(=O)OCC)C1c1ccccc1C#N
InChIInChI=1S/C20H23N3O4/c1-5-26-17(24)15-12(3)23-18(22)20(4,19(25)27-6-2)16(15)14-10-8-7-9-13(14)11-21/h7-10,16H,5-6H2,1-4H3,(H2,22,23)
InChIKeyTYYHZWHWNVGFNJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.42
Rot. Bonds5

About diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate

diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 54341007) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate
PubChem CID54341007
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namediethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N=C(N)C(C)(C(=O)OCC)C1c1ccccc1C#N
InChIInChI=1S/C20H23N3O4/c1-5-26-17(24)15-12(3)23-18(22)20(4,19(25)27-6-2)16(15)14-10-8-7-9-13(14)11-21/h7-10,16H,5-6H2,1-4H3,(H2,22,23)
InChIKeyTYYHZWHWNVGFNJ-UHFFFAOYSA-N
XLogP2.42
TPSA114.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate (CID 54341007) is diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N=C(N)C(C)(C(=O)OCC)C1c1ccccc1C#N.
What is the InChIKey of diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is TYYHZWHWNVGFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-5-26-17(24)15-12(3)23-18(22)20(4,19(25)27-6-2)16(15)14-10-8-7-9-13(14)11-21/h7-10,16H,5-6H2,1-4H3,(H2,22,23).
What are the key properties of diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-4-(2-cyanophenyl)-3,6-dimethyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 54341007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).