N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide

C22H24N4O3 — CID 109280392

IUPACN-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(NCc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-4-3-5-17(12-16)13-25-21-15-24-20(14-26-21)22(27)23-10-11-29-19-8-6-18(28-2)7-9-19/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyTXVINTZNJOSAGW-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.21
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109280392) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109280392
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(NCc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-4-3-5-17(12-16)13-25-21-15-24-20(14-26-21)22(27)23-10-11-29-19-8-6-18(28-2)7-9-19/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyTXVINTZNJOSAGW-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
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
CID 109280397
N-[2-(4-methoxyphenoxy)ethyl]-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283097
5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280308
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830
N-[2-(4-methoxyphenyl)ethyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155812
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279990
N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
CID 109281571
5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109287152
5-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109271821

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 109280392) is N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide is COc1ccc(OCCNC(=O)c2cnc(NCc3cccc(C)c3)cn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is TXVINTZNJOSAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-4-3-5-17(12-16)13-25-21-15-24-20(14-26-21)22(27)23-10-11-29-19-8-6-18(28-2)7-9-19/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]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 N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109280392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).