6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile

C15H12FN5 — CID 47030143

IUPAC6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2cccc(F)c2C#N)nc1
InChIInChI=1S/C15H12FN5/c16-13-2-1-3-14(12(13)9-18)19-6-7-20-15-5-4-11(8-17)10-21-15/h1-5,10,19H,6-7H2,(H,20,21)
InChIKeyFWYBSKJVWQBYFV-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.49
Rot. Bonds5

About 6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile

6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile (PubChem CID 47030143) has the molecular formula C15H12FN5 and a molecular weight of 281.29 g/mol. Its IUPAC name is 6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile
PubChem CID47030143
Molecular FormulaC15H12FN5
Molecular Weight281.29 g/mol
Exact Mass281.11
IUPAC Name6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2cccc(F)c2C#N)nc1
InChIInChI=1S/C15H12FN5/c16-13-2-1-3-14(12(13)9-18)19-6-7-20-15-5-4-11(8-17)10-21-15/h1-5,10,19H,6-7H2,(H,20,21)
InChIKeyFWYBSKJVWQBYFV-UHFFFAOYSA-N
XLogP2.49
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-[4-(pyridin-2-ylamino)butylamino]benzonitrile
CID 51134818
6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 24694772
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
CID 133294986
2-fluoro-6-(2-methylsulfanylethylamino)benzonitrile
CID 78911018
2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580666
2-[(4-cyano-2-methylphenyl)methylamino]-6-fluorobenzonitrile
CID 114479886
6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 133302426
2-fluoro-6-(5-hydroxypentylamino)benzonitrile
CID 62227529
6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
CID 52545859
2-fluoro-6-(octylamino)benzonitrile
CID 43580179

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile (CID 47030143) is 6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCNc2cccc(F)c2C#N)nc1.
What is the InChIKey of 6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile?
The InChIKey is FWYBSKJVWQBYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5/c16-13-2-1-3-14(12(13)9-18)19-6-7-20-15-5-4-11(8-17)10-21-15/h1-5,10,19H,6-7H2,(H,20,21).
What are the key properties of 6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile?
6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile has a molecular weight of 281.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 47030143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).