[2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate

C14H14N4O3 — CID 2624946

IUPAC[2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1nccnc1N
InChIInChI=1S/C14H14N4O3/c1-9-4-2-3-5-10(9)18-11(19)8-21-14(20)12-13(15)17-7-6-16-12/h2-7H,8H2,1H3,(H2,15,17)(H,18,19)
InChIKeyAJXDMSYXEVMMRG-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.16
Rot. Bonds4

About [2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate

[2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 2624946) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
PubChem CID2624946
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1nccnc1N
InChIInChI=1S/C14H14N4O3/c1-9-4-2-3-5-10(9)18-11(19)8-21-14(20)12-13(15)17-7-6-16-12/h2-7H,8H2,1H3,(H2,15,17)(H,18,19)
InChIKeyAJXDMSYXEVMMRG-UHFFFAOYSA-N
XLogP1.16
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81312802
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2643782
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-aminopyrazine-2-carboxylate
CID 7274834
dimethyl 5-[[2-(3-aminopyrazine-2-carbonyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 2684846
[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8543923
[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2378879
[2-(2-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538290
[2-(2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678252
[2-(2-methylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149309
[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242
[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8965756
[2-(2-methylanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate
CID 2336459

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate (CID 2624946) is [2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is Cc1ccccc1NC(=O)COC(=O)c1nccnc1N.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is AJXDMSYXEVMMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-4-2-3-5-10(9)18-11(19)8-21-14(20)12-13(15)17-7-6-16-12/h2-7H,8H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate?
[2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 2624946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).