[2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate

C15H15N3O3 — CID 2430490

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCc1ccc(CNC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H15N3O3/c1-11-2-4-12(5-3-11)8-18-14(19)10-21-15(20)13-9-16-6-7-17-13/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyQINGSNUECRRYFD-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.26
Rot. Bonds5

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2430490) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2430490
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCc1ccc(CNC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H15N3O3/c1-11-2-4-12(5-3-11)8-18-14(19)10-21-15(20)13-9-16-6-7-17-13/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyQINGSNUECRRYFD-UHFFFAOYSA-N
XLogP1.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-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

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate (CID 2430490) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate is Cc1ccc(CNC(=O)COC(=O)c2cnccn2)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is QINGSNUECRRYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-11-2-4-12(5-3-11)8-18-14(19)10-21-15(20)13-9-16-6-7-17-13/h2-7,9H,8,10H2,1H3,(H,18,19).
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2430490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).