[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C15H14ClN3O3 — CID 2338174

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H14ClN3O3/c1-10-6-18-13(8-17-10)15(21)22-9-14(20)19-7-11-2-4-12(16)5-3-11/h2-6,8H,7,9H2,1H3,(H,19,20)
InChIKeyZCNCTNAJIJVCTR-UHFFFAOYSA-N
MW319.75 g/mol
LogP1.91
Rot. Bonds5

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 2338174) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID2338174
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H14ClN3O3/c1-10-6-18-13(8-17-10)15(21)22-9-14(20)19-7-11-2-4-12(16)5-3-11/h2-6,8H,7,9H2,1H3,(H,19,20)
InChIKeyZCNCTNAJIJVCTR-UHFFFAOYSA-N
XLogP1.91
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 2338174) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is ZCNCTNAJIJVCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-10-6-18-13(8-17-10)15(21)22-9-14(20)19-7-11-2-4-12(16)5-3-11/h2-6,8H,7,9H2,1H3,(H,19,20).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 319.75 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2338174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).