3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile

C14H13FN4 — CID 103467892

IUPAC3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
SMILESCC(Nc1ccc(N)c(C#N)n1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN4/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(17)13(8-16)19-14/h2-7,9H,17H2,1H3,(H,18,19)
InChIKeyHTJMWOLXJLZEHF-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.85
Rot. Bonds3

About 3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile

3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile (PubChem CID 103467892) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
PubChem CID103467892
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
SMILESCC(Nc1ccc(N)c(C#N)n1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN4/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(17)13(8-16)19-14/h2-7,9H,17H2,1H3,(H,18,19)
InChIKeyHTJMWOLXJLZEHF-UHFFFAOYSA-N
XLogP2.85
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile
CID 103467281
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83073840
3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103467749
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316
6-[1-(4-methylphenyl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103471487
3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 114151096
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
6-[1-(4-chlorophenyl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103471463
6-[1-(4-bromophenyl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103471465
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile (CID 103467892) is 3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile is CC(Nc1ccc(N)c(C#N)n1)c1ccc(F)cc1.
What is the InChIKey of 3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is HTJMWOLXJLZEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(17)13(8-16)19-14/h2-7,9H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile?
3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 256.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103467892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).