5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide

C13H18BrN3O — CID 78906628

IUPAC5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H18BrN3O/c1-9-4-3-5-10(2)17(9)16-13(18)11-6-12(14)8-15-7-11/h6-10H,3-5H2,1-2H3,(H,16,18)
InChIKeyADERGFDHUBHYCV-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.75
Rot. Bonds2

About 5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide

5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 78906628) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID78906628
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCCC(C)N1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H18BrN3O/c1-9-4-3-5-10(2)17(9)16-13(18)11-6-12(14)8-15-7-11/h6-10H,3-5H2,1-2H3,(H,16,18)
InChIKeyADERGFDHUBHYCV-UHFFFAOYSA-N
XLogP2.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide (CID 78906628) is 5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide is CC1CCCC(C)N1NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ADERGFDHUBHYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-9-4-3-5-10(2)17(9)16-13(18)11-6-12(14)8-15-7-11/h6-10H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide?
5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 78906628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).