N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide

C13H17BrN2O — CID 103909516

IUPACN-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C13H17BrN2O/c1-9-11(7-8-12(14)15-9)16-13(17)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,17)
InChIKeyPTRZAWMMDWVJOB-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.67
Rot. Bonds2

About N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide

N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide (PubChem CID 103909516) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide
PubChem CID103909516
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1CCCCC1
InChIInChI=1S/C13H17BrN2O/c1-9-11(7-8-12(14)15-9)16-13(17)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,17)
InChIKeyPTRZAWMMDWVJOB-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide
CID 141355361
N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 103909567
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103909809
(3R)-N-(2,6-dimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 81133991
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 103909491
N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 103909801
N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
CID 114050908
N-(6-bromo-2-methyl-3-pyridinyl)cyclopentanesulfonamide
CID 103908703
N-(4-amino-2-bromophenyl)cyclohexanecarboxamide
CID 1133414

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide (CID 103909516) is N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide is Cc1nc(Br)ccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide?
The InChIKey is PTRZAWMMDWVJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-11(7-8-12(14)15-9)16-13(17)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide?
N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide has a molecular weight of 297.20 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide is sourced from PubChem (CID 103909516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).