2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile

C18H15BrFN5 — CID 170319407

IUPAC2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCCCC2)c(C#N)c1-c1cc(Br)ccc1F
InChIInChI=1S/C18H15BrFN5/c19-11-4-5-15(20)12(8-11)16-13(9-21)17(23)24-18(14(16)10-22)25-6-2-1-3-7-25/h4-5,8H,1-3,6-7H2,(H2,23,24)
InChIKeyZZWYTHNQFYIBKN-UHFFFAOYSA-N
MW400.26 g/mol
LogP3.97
Rot. Bonds2

About 2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile

2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile (PubChem CID 170319407) has the molecular formula C18H15BrFN5 and a molecular weight of 400.26 g/mol. Its IUPAC name is 2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
PubChem CID170319407
Molecular FormulaC18H15BrFN5
Molecular Weight400.26 g/mol
Exact Mass399.05
IUPAC Name2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCCCC2)c(C#N)c1-c1cc(Br)ccc1F
InChIInChI=1S/C18H15BrFN5/c19-11-4-5-15(20)12(8-11)16-13(9-21)17(23)24-18(14(16)10-22)25-6-2-1-3-7-25/h4-5,8H,1-3,6-7H2,(H2,23,24)
InChIKeyZZWYTHNQFYIBKN-UHFFFAOYSA-N
XLogP3.97
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile (CID 170319407) is 2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(N2CCCCC2)c(C#N)c1-c1cc(Br)ccc1F.
What is the InChIKey of 2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
The InChIKey is ZZWYTHNQFYIBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN5/c19-11-4-5-15(20)12(8-11)16-13(9-21)17(23)24-18(14(16)10-22)25-6-2-1-3-7-25/h4-5,8H,1-3,6-7H2,(H2,23,24).
What are the key properties of 2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile has a molecular weight of 400.26 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromo-2-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 170319407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).