5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile

C12H15BrN4 — CID 136548265

IUPAC5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile
SMILESCN(c1ncc(Br)cc1C#N)C1CCNCC1
InChIInChI=1S/C12H15BrN4/c1-17(11-2-4-15-5-3-11)12-9(7-14)6-10(13)8-16-12/h6,8,11,15H,2-5H2,1H3
InChIKeyWPERIMNGDJJREK-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.90
Rot. Bonds2

About 5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile

5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile (PubChem CID 136548265) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile
PubChem CID136548265
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile
SMILESCN(c1ncc(Br)cc1C#N)C1CCNCC1
InChIInChI=1S/C12H15BrN4/c1-17(11-2-4-15-5-3-11)12-9(7-14)6-10(13)8-16-12/h6,8,11,15H,2-5H2,1H3
InChIKeyWPERIMNGDJJREK-UHFFFAOYSA-N
XLogP1.90
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile (CID 136548265) is 5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile is CN(c1ncc(Br)cc1C#N)C1CCNCC1.
What is the InChIKey of 5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile?
The InChIKey is WPERIMNGDJJREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-17(11-2-4-15-5-3-11)12-9(7-14)6-10(13)8-16-12/h6,8,11,15H,2-5H2,1H3.
What are the key properties of 5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile?
5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile has a molecular weight of 295.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[methyl(piperidin-4-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 136548265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).