N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide

C14H19BrN2O — CID 113275446

IUPACN-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCC2Br)c(C)n1
InChIInChI=1S/C14H19BrN2O/c1-9-6-7-12(10(2)17-9)14(18)16-8-11-4-3-5-13(11)15/h6-7,11,13H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyLHWTUPCANDJTSB-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.99
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide

N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 113275446) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID113275446
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCC2Br)c(C)n1
InChIInChI=1S/C14H19BrN2O/c1-9-6-7-12(10(2)17-9)14(18)16-8-11-4-3-5-13(11)15/h6-7,11,13H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyLHWTUPCANDJTSB-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-bromocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113275114
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479
N-[2-(hydroxymethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 103751569
2-bromo-N-[(2-bromocyclohexyl)methyl]-3-methylbenzamide
CID 114024074
N-[(2-bromocyclopentyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107016888
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
CID 114313873
N-[(2-bromocyclopentyl)methyl]-2,5-dihydroxybenzamide
CID 107726047
N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide
CID 113275455
N-[(2-bromocyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677675
N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide
CID 114313919
N-[(2-bromocyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114823305

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide (CID 113275446) is N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC2CCCC2Br)c(C)n1.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is LHWTUPCANDJTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-6-7-12(10(2)17-9)14(18)16-8-11-4-3-5-13(11)15/h6-7,11,13H,3-5,8H2,1-2H3,(H,16,18).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
N-[(2-bromocyclopentyl)methyl]-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-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 113275446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).