5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide

C17H22N4O3 — CID 109270830

IUPAC5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
SMILESCCCNC(=O)c1cnc(NCCOc2ccc(OC)cc2)cn1
InChIInChI=1S/C17H22N4O3/c1-3-8-19-17(22)15-11-21-16(12-20-15)18-9-10-24-14-6-4-13(23-2)5-7-14/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKAWVNAWCFAVEGC-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.12
Rot. Bonds9

About 5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide

5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide (PubChem CID 109270830) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
PubChem CID109270830
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
SMILESCCCNC(=O)c1cnc(NCCOc2ccc(OC)cc2)cn1
InChIInChI=1S/C17H22N4O3/c1-3-8-19-17(22)15-11-21-16(12-20-15)18-9-10-24-14-6-4-13(23-2)5-7-14/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKAWVNAWCFAVEGC-UHFFFAOYSA-N
XLogP2.12
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 109271001
5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271228
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
CID 109281571
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279990
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280259
N-[2-(4-methoxyphenoxy)ethyl]-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283097
5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109271821
N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
CID 109287186
N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280392
5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109274881

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide?
The IUPAC name of 5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide (CID 109270830) is 5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide is CCCNC(=O)c1cnc(NCCOc2ccc(OC)cc2)cn1.
What is the InChIKey of 5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide?
The InChIKey is KAWVNAWCFAVEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-8-19-17(22)15-11-21-16(12-20-15)18-9-10-24-14-6-4-13(23-2)5-7-14/h4-7,11-12H,3,8-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide?
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 109270830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).