5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

C20H19FN4O — CID 109281597

IUPAC5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCCc1ccc(Nc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C20H19FN4O/c1-2-14-5-9-17(10-6-14)25-19-13-22-18(12-23-19)20(26)24-11-15-3-7-16(21)8-4-15/h3-10,12-13H,2,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyCGAQZPREQLJXPH-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.85
Rot. Bonds6

About 5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide

5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109281597) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID109281597
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCCc1ccc(Nc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C20H19FN4O/c1-2-14-5-9-17(10-6-14)25-19-13-22-18(12-23-19)20(26)24-11-15-3-7-16(21)8-4-15/h3-10,12-13H,2,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyCGAQZPREQLJXPH-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281641
5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281654
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
N-(2,4-difluorophenyl)-5-(4-ethylanilino)pyrazine-2-carboxamide
CID 109291695
5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284480
methyl 2-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109281638
N-[(4-chlorophenyl)methyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109282066
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272170
N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109279773
2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328770

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 109281597) is 5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is CCc1ccc(Nc2cnc(C(=O)NCc3ccc(F)cc3)cn2)cc1.
What is the InChIKey of 5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is CGAQZPREQLJXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-2-14-5-9-17(10-6-14)25-19-13-22-18(12-23-19)20(26)24-11-15-3-7-16(21)8-4-15/h3-10,12-13H,2,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109281597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).