N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide

C14H19BrN2O — CID 114179479

IUPACN-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCCC2CBr)c(C)n1
InChIInChI=1S/C14H19BrN2O/c1-9-6-7-12(10(2)16-9)14(18)17-13-5-3-4-11(13)8-15/h6-7,11,13H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyJCBZSBWXLFRTKE-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.99
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide

N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 114179479) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID114179479
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCCC2CBr)c(C)n1
InChIInChI=1S/C14H19BrN2O/c1-9-6-7-12(10(2)16-9)14(18)17-13-5-3-4-11(13)8-15/h6-7,11,13H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyJCBZSBWXLFRTKE-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.99
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-[2-(hydroxymethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 103751569
N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 106366592
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 113275446
N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
CID 106366292
N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
CID 106366208
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]-4-chloro-2-hydroxybenzamide
CID 106366538
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide (CID 114179479) is N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2CCCC2CBr)c(C)n1.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is JCBZSBWXLFRTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-6-7-12(10(2)16-9)14(18)17-13-5-3-4-11(13)8-15/h6-7,11,13H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide?
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.99, 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]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 114179479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).