2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile

C22H20FN3 — CID 118598452

IUPAC2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile
SMILESCC(C)(C)Nc1cc(C#N)c(-c2cccc(-c3ccccc3)c2F)cn1
InChIInChI=1S/C22H20FN3/c1-22(2,3)26-20-12-16(13-24)19(14-25-20)18-11-7-10-17(21(18)23)15-8-5-4-6-9-15/h4-12,14H,1-3H3,(H,25,26)
InChIKeyPBZNLIBPBGJMEI-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.64
Rot. Bonds3

About 2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile

2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile (PubChem CID 118598452) has the molecular formula C22H20FN3 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile
PubChem CID118598452
Molecular FormulaC22H20FN3
Molecular Weight345.42 g/mol
Exact Mass345.16
IUPAC Name2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile
SMILESCC(C)(C)Nc1cc(C#N)c(-c2cccc(-c3ccccc3)c2F)cn1
InChIInChI=1S/C22H20FN3/c1-22(2,3)26-20-12-16(13-24)19(14-25-20)18-11-7-10-17(21(18)23)15-8-5-4-6-9-15/h4-12,14H,1-3H3,(H,25,26)
InChIKeyPBZNLIBPBGJMEI-UHFFFAOYSA-N
XLogP5.64
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile
CID 118598457
5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
CID 144713854
5-tert-butyl-2-fluoro-3-phenylpyridine
CID 165372109
5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine
CID 118598397
6-(tert-butylamino)pyridine-2,3-dicarbonitrile
CID 10241897
2-(5-methylpyrimidin-2-yl)-3-phenylbenzonitrile
CID 58954363
2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile
CID 142753884
2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile
CID 1476365
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]benzonitrile
CID 170299760
N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine
CID 90314272
N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine
CID 118598526
1-[4-cyano-5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 86298765

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile (CID 118598452) is 2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile is CC(C)(C)Nc1cc(C#N)c(-c2cccc(-c3ccccc3)c2F)cn1.
What is the InChIKey of 2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile?
The InChIKey is PBZNLIBPBGJMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3/c1-22(2,3)26-20-12-16(13-24)19(14-25-20)18-11-7-10-17(21(18)23)15-8-5-4-6-9-15/h4-12,14H,1-3H3,(H,25,26).
What are the key properties of 2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile?
2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile has a molecular weight of 345.42 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 118598452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).