5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile

C12H15BrN4 — CID 76848485

IUPAC5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCNC1CCN(c2ncc(Br)cc2C#N)CC1
InChIInChI=1S/C12H15BrN4/c1-15-11-2-4-17(5-3-11)12-9(7-14)6-10(13)8-16-12/h6,8,11,15H,2-5H2,1H3
InChIKeyUYOWQRSLMIMSKI-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.90
Rot. Bonds2

About 5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile

5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 76848485) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID76848485
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCNC1CCN(c2ncc(Br)cc2C#N)CC1
InChIInChI=1S/C12H15BrN4/c1-15-11-2-4-17(5-3-11)12-9(7-14)6-10(13)8-16-12/h6,8,11,15H,2-5H2,1H3
InChIKeyUYOWQRSLMIMSKI-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-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile (CID 76848485) is 5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile is CNC1CCN(c2ncc(Br)cc2C#N)CC1.
What is the InChIKey of 5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is UYOWQRSLMIMSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-15-11-2-4-17(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-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile?
5-bromo-2-[4-(methylamino)piperidin-1-yl]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-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 76848485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).