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

C15H15N3O4 — CID 2346513

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H15N3O4/c1-21-12-4-2-11(3-5-12)8-18-14(19)10-22-15(20)13-9-16-6-7-17-13/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyJVTOHZKWVINCKX-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.96
Rot. Bonds6

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

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2346513) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2346513
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H15N3O4/c1-21-12-4-2-11(3-5-12)8-18-14(19)10-22-15(20)13-9-16-6-7-17-13/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyJVTOHZKWVINCKX-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-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2714935
2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
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-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 24687321
Pyrazinecarboxylic acid, 4-methylphenyl ester
CID 122713
Acetic acid (4-methoxy-benzylcarbamoyl)-pyridin-2-yl-methyl ester
CID 652812
N-[2-(2-methoxyphenyl)ethyl]-2-pyrazinecarboxamide
CID 1246077

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate (CID 2346513) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate is COc1ccc(CNC(=O)COC(=O)c2cnccn2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is JVTOHZKWVINCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-21-12-4-2-11(3-5-12)8-18-14(19)10-22-15(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-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[(4-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-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2346513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).