N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide

C15H21BrN2O — CID 114317374

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC1CCCCC1CBr
InChIInChI=1S/C15H21BrN2O/c1-11-5-4-8-17-14(11)15(19)18-10-13-7-3-2-6-12(13)9-16/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyCJGURJSKYDIQKN-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.32
Rot. Bonds4

About N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide

N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide (PubChem CID 114317374) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
PubChem CID114317374
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC1CCCCC1CBr
InChIInChI=1S/C15H21BrN2O/c1-11-5-4-8-17-14(11)15(19)18-10-13-7-3-2-6-12(13)9-16/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3,(H,18,19)
InChIKeyCJGURJSKYDIQKN-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]isoquinoline-1-carboxamide
CID 114317088
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide
CID 114317495
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 114317339
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-methylbenzamide
CID 107100189
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
N-cyclopentyloxy-3-methylpyridine-2-carboxamide
CID 83202115
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide
CID 114317234
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-2-nitrobenzamide
CID 114317241
N-(4-bromobutyl)-3-methylpyridine-2-carboxamide
CID 106845669

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide (CID 114317374) is N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCC1CCCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is CJGURJSKYDIQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-5-4-8-17-14(11)15(19)18-10-13-7-3-2-6-12(13)9-16/h4-5,8,12-13H,2-3,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 114317374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).