2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile

C16H17FN4 — CID 51134818

IUPAC2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCCCCNc1ccccn1
InChIInChI=1S/C16H17FN4/c17-14-6-5-7-15(13(14)12-18)19-9-3-4-11-21-16-8-1-2-10-20-16/h1-2,5-8,10,19H,3-4,9,11H2,(H,20,21)
InChIKeyKKAQEWYTLCACAM-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.40
Rot. Bonds7

About 2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile

2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile (PubChem CID 51134818) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile
PubChem CID51134818
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCCCCNc1ccccn1
InChIInChI=1S/C16H17FN4/c17-14-6-5-7-15(13(14)12-18)19-9-3-4-11-21-16-8-1-2-10-20-16/h1-2,5-8,10,19H,3-4,9,11H2,(H,20,21)
InChIKeyKKAQEWYTLCACAM-UHFFFAOYSA-N
XLogP3.40
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-fluoro-6-(octylamino)benzonitrile
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2-fluoro-6-[(3-hydroxy-3-phenylbutyl)amino]benzonitrile
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2-fluoro-6-(2-methylsulfanylethylamino)benzonitrile
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N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine
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2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile
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2-(3-benzylsulfonylpropylamino)-6-fluorobenzonitrile
CID 51106901
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile (CID 51134818) is 2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile is N#Cc1c(F)cccc1NCCCCNc1ccccn1.
What is the InChIKey of 2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile?
The InChIKey is KKAQEWYTLCACAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c17-14-6-5-7-15(13(14)12-18)19-9-3-4-11-21-16-8-1-2-10-20-16/h1-2,5-8,10,19H,3-4,9,11H2,(H,20,21).
What are the key properties of 2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile?
2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile has a molecular weight of 284.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile is sourced from PubChem (CID 51134818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).