5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide

C19H17FN4O — CID 109280827

IUPAC5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Nc2ccc(F)cc2)cn1)c1ccccc1
InChIInChI=1S/C19H17FN4O/c1-13(14-5-3-2-4-6-14)23-19(25)17-11-22-18(12-21-17)24-16-9-7-15(20)8-10-16/h2-13H,1H3,(H,22,24)(H,23,25)
InChIKeyFFISIMIDTDILJG-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.85
Rot. Bonds5

About 5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide

5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide (PubChem CID 109280827) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
PubChem CID109280827
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Nc2ccc(F)cc2)cn1)c1ccccc1
InChIInChI=1S/C19H17FN4O/c1-13(14-5-3-2-4-6-14)23-19(25)17-11-22-18(12-21-17)24-16-9-7-15(20)8-10-16/h2-13H,1H3,(H,22,24)(H,23,25)
InChIKeyFFISIMIDTDILJG-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280871
5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280854
5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280867
N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109280820
5-(2-fluoroanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188905
N-(1-phenylethyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109280869
5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280832
5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 112520266
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292042
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide (CID 109280827) is 5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide is CC(NC(=O)c1cnc(Nc2ccc(F)cc2)cn1)c1ccccc1.
What is the InChIKey of 5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is FFISIMIDTDILJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-13(14-5-3-2-4-6-14)23-19(25)17-11-22-18(12-21-17)24-16-9-7-15(20)8-10-16/h2-13H,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109280827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).