N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide

C13H17BrN2O — CID 106366592

IUPACN-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CCCC2CBr)n1
InChIInChI=1S/C13H17BrN2O/c1-9-4-2-7-12(15-9)13(17)16-11-6-3-5-10(11)8-14/h2,4,7,10-11H,3,5-6,8H2,1H3,(H,16,17)
InChIKeyKTSOMAWSUSSJEV-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.68
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide

N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide (PubChem CID 106366592) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
PubChem CID106366592
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2CCCC2CBr)n1
InChIInChI=1S/C13H17BrN2O/c1-9-4-2-7-12(15-9)13(17)16-11-6-3-5-10(11)8-14/h2,4,7,10-11H,3,5-6,8H2,1H3,(H,16,17)
InChIKeyKTSOMAWSUSSJEV-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 114179537
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106366475
N-[2-(bromomethyl)cyclopentyl]-5-cyanopyridine-2-carboxamide
CID 106366366
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride
CID 119999021
N-[2-(bromomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 114219227
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 106366301
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide (CID 106366592) is N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC2CCCC2CBr)n1.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide?
The InChIKey is KTSOMAWSUSSJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-4-2-7-12(15-9)13(17)16-11-6-3-5-10(11)8-14/h2,4,7,10-11H,3,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide?
N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 106366592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).