N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide

C13H17BrN2O — CID 106367080

IUPACN-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1CBr)c1ccncc1
InChIInChI=1S/C13H17BrN2O/c14-9-11-3-1-2-4-12(11)16-13(17)10-5-7-15-8-6-10/h5-8,11-12H,1-4,9H2,(H,16,17)
InChIKeyJLCMDAOQYHIARI-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.77
Rot. Bonds3

About N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide

N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide (PubChem CID 106367080) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
PubChem CID106367080
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1CBr)c1ccncc1
InChIInChI=1S/C13H17BrN2O/c14-9-11-3-1-2-4-12(11)16-13(17)10-5-7-15-8-6-10/h5-8,11-12H,1-4,9H2,(H,16,17)
InChIKeyJLCMDAOQYHIARI-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
CID 106367322
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
CID 110125810
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295
N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179456
N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
CID 106366425
N-cyclopentylpyridine-4-carboxamide
CID 4212000
5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide
CID 106367206

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide (CID 106367080) is N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide is O=C(NC1CCCCC1CBr)c1ccncc1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide?
The InChIKey is JLCMDAOQYHIARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-9-11-3-1-2-4-12(11)16-13(17)10-5-7-15-8-6-10/h5-8,11-12H,1-4,9H2,(H,16,17).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide?
N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 106367080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).