N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide

C19H17FN4O — CID 109283961

IUPACN-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(NCCc2ccccc2)cn1
InChIInChI=1S/C19H17FN4O/c20-15-6-8-16(9-7-15)24-19(25)17-12-23-18(13-22-17)21-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,21,23)(H,24,25)
InChIKeyDEKOGIDUBFKUIG-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.52
Rot. Bonds6

About N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide

N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide (PubChem CID 109283961) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
PubChem CID109283961
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc(NCCc2ccccc2)cn1
InChIInChI=1S/C19H17FN4O/c20-15-6-8-16(9-7-15)24-19(25)17-12-23-18(13-22-17)21-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,21,23)(H,24,25)
InChIKeyDEKOGIDUBFKUIG-UHFFFAOYSA-N
XLogP3.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109284021
N-(4-acetylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284566
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284529
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109284508
N-(2,6-difluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284584
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287128
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109281675

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide (CID 109283961) is N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cnc(NCCc2ccccc2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
The InChIKey is DEKOGIDUBFKUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-6-8-16(9-7-15)24-19(25)17-12-23-18(13-22-17)21-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,21,23)(H,24,25).
What are the key properties of N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).