5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile

C18H15BrN4 — CID 163344797

IUPAC5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C18H15BrN4/c19-16-10-14(11-20)17(22-12-16)23-8-6-18(13-21,7-9-23)15-4-2-1-3-5-15/h1-5,10,12H,6-9H2
InChIKeyHHHDVHBINWBOTG-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.78
Rot. Bonds2

About 5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile

5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 163344797) has the molecular formula C18H15BrN4 and a molecular weight of 367.25 g/mol. Its IUPAC name is 5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID163344797
Molecular FormulaC18H15BrN4
Molecular Weight367.25 g/mol
Exact Mass366.05
IUPAC Name5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C18H15BrN4/c19-16-10-14(11-20)17(22-12-16)23-8-6-18(13-21,7-9-23)15-4-2-1-3-5-15/h1-5,10,12H,6-9H2
InChIKeyHHHDVHBINWBOTG-UHFFFAOYSA-N
XLogP3.78
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (CID 163344797) is 5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is N#Cc1cc(Br)cnc1N1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is HHHDVHBINWBOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4/c19-16-10-14(11-20)17(22-12-16)23-8-6-18(13-21,7-9-23)15-4-2-1-3-5-15/h1-5,10,12H,6-9H2.
What are the key properties of 5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 367.25 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-cyano-4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 163344797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).