diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate

C18H22N2O4 — CID 13477412

IUPACdiethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)N1c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-5-23-17(21)15-12(3)19-13(4)16(18(22)24-6-2)20(15)14-10-8-7-9-11-14/h7-11,19H,5-6H2,1-4H3
InChIKeyKAXSJZBJOHQFLH-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.69
Rot. Bonds5

About diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate (PubChem CID 13477412) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate
PubChem CID13477412
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namediethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)N1c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-5-23-17(21)15-12(3)19-13(4)16(18(22)24-6-2)20(15)14-10-8-7-9-11-14/h7-11,19H,5-6H2,1-4H3
InChIKeyKAXSJZBJOHQFLH-UHFFFAOYSA-N
XLogP2.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-(4-fluoroanilino)crotonate
CID 5708448
bis[2-(2-fluoroanilino)-2-oxoethyl] (E)-but-2-enedioate
CID 6293464
Diethyl 2-mercapto-1-phenyl-4,5-imidazoledicarboxylate
CID 3978955
2H-Pyran-2-one, 5,6-dihydro-6-methyl-4-(phenylamino)-
CID 6914717
4-Anilinofuran-2(5H)-one
CID 89645
Ethyl 3-anilinocrotonate
CID 735753
ethyl (Z)-3-anilinobut-2-enoate
CID 5399016
3-Ethyl-4-(phenylamino)furan-2(5H)-one
CID 307962
3-Phenylamino-but-2-enoic acid ethyl ester
CID 94928
Ethyl 3-(p-acetamidoanilino)crotonate
CID 759385
1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis(phenylamino)-, 1,4-diethyl ester
CID 78608
(Z)-Ethyl 3-((4-fluorophenyl)amino)but-2-enoate
CID 5811492

Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate (CID 13477412) is diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)N1c1ccccc1.
What is the InChIKey of diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate?
The InChIKey is KAXSJZBJOHQFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-5-23-17(21)15-12(3)19-13(4)16(18(22)24-6-2)20(15)14-10-8-7-9-11-14/h7-11,19H,5-6H2,1-4H3.
What are the key properties of diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-phenyl-1H-pyrazine-3,5-dicarboxylate is sourced from PubChem (CID 13477412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).