5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide

C20H19FN4O3 — CID 109287152

IUPAC5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C20H19FN4O3/c1-27-14-6-8-15(9-7-14)28-11-10-22-20(26)18-12-24-19(13-23-18)25-17-5-3-2-4-16(17)21/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,24,25)
InChIKeyKZVWQBJQILZWSH-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.18
Rot. Bonds8

About 5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide

5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide (PubChem CID 109287152) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
PubChem CID109287152
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnc(Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C20H19FN4O3/c1-27-14-6-8-15(9-7-14)28-11-10-22-20(26)18-12-24-19(13-23-18)25-17-5-3-2-4-16(17)21/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,24,25)
InChIKeyKZVWQBJQILZWSH-UHFFFAOYSA-N
XLogP3.18
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.18
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-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282232
N-[2-(4-methoxyphenoxy)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283924
N-[2-(2-fluorophenyl)ethyl]-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109284290
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
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830
5-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109274881
N-(2-fluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282537
N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
CID 109281571
N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109160901
6-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124679
N-[(4-methoxyphenyl)methyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109282478

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide (CID 109287152) is 5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide is COc1ccc(OCCNC(=O)c2cnc(Nc3ccccc3F)cn2)cc1.
What is the InChIKey of 5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
The InChIKey is KZVWQBJQILZWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-27-14-6-8-15(9-7-14)28-11-10-22-20(26)18-12-24-19(13-23-18)25-17-5-3-2-4-16(17)21/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide?
5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109287152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).