[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate

C15H15N3O4 — CID 2352910

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C15H15N3O4/c1-21-13-5-3-2-4-11(13)8-18-14(19)10-22-15(20)12-9-16-6-7-17-12/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyRIEDAUIACYAOSU-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.96
Rot. Bonds6

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2352910) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2352910
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cnccn1
InChIInChI=1S/C15H15N3O4/c1-21-13-5-3-2-4-11(13)8-18-14(19)10-22-15(20)12-9-16-6-7-17-12/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyRIEDAUIACYAOSU-UHFFFAOYSA-N
XLogP0.96
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 470910
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2112149
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2363580
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2433674
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2714935
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437
2-(2-methylphenoxy)-N-[3-(2-pyridylcarbonylamino)propyl]acetamide
CID 2992308
Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
N-(2-{[(3,4-dimethylphenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498569
N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 16552535
N-[2-(2-methoxyphenyl)ethyl]-2-pyrazinecarboxamide
CID 1246077
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2336561

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate (CID 2352910) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate is COc1ccccc1CNC(=O)COC(=O)c1cnccn1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is RIEDAUIACYAOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-21-13-5-3-2-4-11(13)8-18-14(19)10-22-15(20)12-9-16-6-7-17-12/h2-7,9H,8,10H2,1H3,(H,18,19).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2352910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).