5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide

C13H17BrN2O — CID 720021

IUPAC5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(Br)c1)C1CCCCC1
InChIInChI=1S/C13H17BrN2O/c1-16(12-5-3-2-4-6-12)13(17)10-7-11(14)9-15-8-10/h7-9,12H,2-6H2,1H3
InChIKeyAYFJHEKAAXEAMM-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.25
Rot. Bonds2

About 5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide

5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide (PubChem CID 720021) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide
PubChem CID720021
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(Br)c1)C1CCCCC1
InChIInChI=1S/C13H17BrN2O/c1-16(12-5-3-2-4-6-12)13(17)10-7-11(14)9-15-8-10/h7-9,12H,2-6H2,1H3
InChIKeyAYFJHEKAAXEAMM-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide (CID 720021) is 5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide is CN(C(=O)c1cncc(Br)c1)C1CCCCC1.
What is the InChIKey of 5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide?
The InChIKey is AYFJHEKAAXEAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-16(12-5-3-2-4-6-12)13(17)10-7-11(14)9-15-8-10/h7-9,12H,2-6H2,1H3.
What are the key properties of 5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide?
5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 720021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).