5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

C22H24N4O3 — CID 109279990

IUPAC5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNc2cnc(C(=O)NCc3ccccc3C)cn2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-5-3-4-6-17(16)13-26-22(27)20-14-25-21(15-24-20)23-11-12-29-19-9-7-18(28-2)8-10-19/h3-10,14-15H,11-13H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyXLQHJWIXQUVNOM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.21
Rot. Bonds9

About 5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109279990) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109279990
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNc2cnc(C(=O)NCc3ccccc3C)cn2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-5-3-4-6-17(16)13-26-22(27)20-14-25-21(15-24-20)23-11-12-29-19-9-7-18(28-2)8-10-19/h3-10,14-15H,11-13H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyXLQHJWIXQUVNOM-UHFFFAOYSA-N
XLogP3.21
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.21
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

5-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280259
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830
N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
CID 109281571
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271228
N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109279989
N-[2-(4-methoxyphenoxy)ethyl]-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283097
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280392
6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364632
N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
CID 109287186

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (CID 109279990) is 5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is COc1ccc(OCCNc2cnc(C(=O)NCc3ccccc3C)cn2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is XLQHJWIXQUVNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-5-3-4-6-17(16)13-26-22(27)20-14-25-21(15-24-20)23-11-12-29-19-9-7-18(28-2)8-10-19/h3-10,14-15H,11-13H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of 5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.21, 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-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109279990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).