[2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C15H15N3O3 — CID 2338042

IUPAC[2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NCc2ccccc2)cn1
InChIInChI=1S/C15H15N3O3/c1-11-7-17-13(9-16-11)15(20)21-10-14(19)18-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyOSGHOUDLOYRBLD-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.26
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2338042) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2338042
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NCc2ccccc2)cn1
InChIInChI=1S/C15H15N3O3/c1-11-7-17-13(9-16-11)15(20)21-10-14(19)18-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyOSGHOUDLOYRBLD-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

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2338042) is [2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)NCc2ccccc2)cn1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is OSGHOUDLOYRBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-11-7-17-13(9-16-11)15(20)21-10-14(19)18-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,18,19).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(benzylamino)-2-oxoethyl] 5-methylpyrazine-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-(benzylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2338042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).