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

C18H15ClFN5 — CID 170319402

IUPAC2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCCCC2)c(C#N)c1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C18H15ClFN5/c19-12-6-11(7-13(20)8-12)16-14(9-21)17(23)24-18(15(16)10-22)25-4-2-1-3-5-25/h6-8H,1-5H2,(H2,23,24)
InChIKeyUTTQTVHSCRWZIN-UHFFFAOYSA-N
MW355.80 g/mol
LogP3.86
Rot. Bonds2

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

2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile (PubChem CID 170319402) has the molecular formula C18H15ClFN5 and a molecular weight of 355.80 g/mol. Its IUPAC name is 2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
PubChem CID170319402
Molecular FormulaC18H15ClFN5
Molecular Weight355.80 g/mol
Exact Mass355.10
IUPAC Name2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(N2CCCCC2)c(C#N)c1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C18H15ClFN5/c19-12-6-11(7-13(20)8-12)16-14(9-21)17(23)24-18(15(16)10-22)25-4-2-1-3-5-25/h6-8H,1-5H2,(H2,23,24)
InChIKeyUTTQTVHSCRWZIN-UHFFFAOYSA-N
XLogP3.86
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile (CID 170319402) is 2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(N2CCCCC2)c(C#N)c1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
The InChIKey is UTTQTVHSCRWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5/c19-12-6-11(7-13(20)8-12)16-14(9-21)17(23)24-18(15(16)10-22)25-4-2-1-3-5-25/h6-8H,1-5H2,(H2,23,24).
What are the key properties of 2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile?
2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile has a molecular weight of 355.80 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chloro-5-fluorophenyl)-6-piperidin-1-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 170319402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).