N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide

C13H17BrN2O — CID 115268285

IUPACN-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc(Br)cn1
InChIInChI=1S/C13H17BrN2O/c1-16(12-8-7-11(14)9-15-12)13(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyDSWGGNHHIHOVAT-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.39
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide

N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide (PubChem CID 115268285) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
PubChem CID115268285
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc(Br)cn1
InChIInChI=1S/C13H17BrN2O/c1-16(12-8-7-11(14)9-15-12)13(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyDSWGGNHHIHOVAT-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide
CID 115274139
methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268324
N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268287
N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane
CID 144575060
N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide
CID 115274143
N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
CID 115274145
N-(5-methoxy-2-pyridinyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 127885756
N-methyl-N-[6-(methylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 115268525
N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 115268319
N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide
CID 115274152
N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
CID 115268312
N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide
CID 146514852

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide (CID 115268285) is N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide is CN(C(=O)C1CCCCC1)c1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide?
The InChIKey is DSWGGNHHIHOVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-16(12-8-7-11(14)9-15-12)13(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide?
N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide has a molecular weight of 297.20 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 115268285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).