3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile

C19H15FN4 — CID 118598457

IUPAC3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile
SMILESN#CCCNc1cnc(-c2cccc(-c3ccccc3)c2F)cn1
InChIInChI=1S/C19H15FN4/c20-19-15(14-6-2-1-3-7-14)8-4-9-16(19)17-12-24-18(13-23-17)22-11-5-10-21/h1-4,6-9,12-13H,5,11H2,(H,22,24)
InChIKeyYAJIPCQFHJXDLB-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.28
Rot. Bonds5

About 3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile

3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile (PubChem CID 118598457) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile
PubChem CID118598457
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile
SMILESN#CCCNc1cnc(-c2cccc(-c3ccccc3)c2F)cn1
InChIInChI=1S/C19H15FN4/c20-19-15(14-6-2-1-3-7-14)8-4-9-16(19)17-12-24-18(13-23-17)22-11-5-10-21/h1-4,6-9,12-13H,5,11H2,(H,22,24)
InChIKeyYAJIPCQFHJXDLB-UHFFFAOYSA-N
XLogP4.28
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine
CID 118598397
N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine
CID 118598526
cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol
CID 90314776
N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine
CID 90314272
2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile
CID 118598452
N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine
CID 112754900
3-(pyridin-2-ylamino)propanenitrile;hydrochloride
CID 139578245
3-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971920
4-(2-phenylphenoxy)butanenitrile
CID 14751947
2-(2-fluoro-5-phenyl-4-pyridinyl)acetonitrile
CID 131870326
1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine
CID 118598389
2-(2-fluoro-3-phenylphenyl)-5-methylpyrrolo[2,3-b]pyrazine
CID 118598428

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile?
The IUPAC name of 3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile (CID 118598457) is 3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile.
What is the SMILES notation for 3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile?
The canonical SMILES for 3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile is N#CCCNc1cnc(-c2cccc(-c3ccccc3)c2F)cn1.
What is the InChIKey of 3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile?
The InChIKey is YAJIPCQFHJXDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c20-19-15(14-6-2-1-3-7-14)8-4-9-16(19)17-12-24-18(13-23-17)22-11-5-10-21/h1-4,6-9,12-13H,5,11H2,(H,22,24).
What are the key properties of 3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile?
3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile has a molecular weight of 318.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile is sourced from PubChem (CID 118598457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).