3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate

C15H14N3O5- — CID 7189406

IUPAC3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
SMILESCOc1ccc(OCCNC(=O)c2nccnc2C(=O)[O-])cc1
InChIInChI=1S/C15H15N3O5/c1-22-10-2-4-11(5-3-10)23-9-8-18-14(19)12-13(15(20)21)17-7-6-16-12/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyKYNPQIWQYPKDAD-UHFFFAOYSA-M
MW316.29 g/mol
LogP-0.34
Rot. Bonds7

About 3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate

3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate (PubChem CID 7189406) has the molecular formula C15H14N3O5- and a molecular weight of 316.29 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
PubChem CID7189406
Molecular FormulaC15H14N3O5-
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
SMILESCOc1ccc(OCCNC(=O)c2nccnc2C(=O)[O-])cc1
InChIInChI=1S/C15H15N3O5/c1-22-10-2-4-11(5-3-10)23-9-8-18-14(19)12-13(15(20)21)17-7-6-16-12/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyKYNPQIWQYPKDAD-UHFFFAOYSA-M
XLogP-0.34
TPSA113.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide
CID 109089109
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 110691003
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682600

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate (CID 7189406) is 3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate is COc1ccc(OCCNC(=O)c2nccnc2C(=O)[O-])cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate?
The InChIKey is KYNPQIWQYPKDAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15N3O5/c1-22-10-2-4-11(5-3-10)23-9-8-18-14(19)12-13(15(20)21)17-7-6-16-12/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21)/p-1.
What are the key properties of 3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate?
3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate has a molecular weight of 316.29 g/mol, XLogP of -0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate is sourced from PubChem (CID 7189406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).