2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide

C14H19BrN2O — CID 103754238

IUPAC2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cccnc1Br
InChIInChI=1S/C14H19BrN2O/c1-17(10-11-6-3-2-4-7-11)14(18)12-8-5-9-16-13(12)15/h5,8-9,11H,2-4,6-7,10H2,1H3
InChIKeyNMOBKCUSSCPQRI-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.50
Rot. Bonds3

About 2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide

2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide (PubChem CID 103754238) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
PubChem CID103754238
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cccnc1Br
InChIInChI=1S/C14H19BrN2O/c1-17(10-11-6-3-2-4-7-11)14(18)12-8-5-9-16-13(12)15/h5,8-9,11H,2-4,6-7,10H2,1H3
InChIKeyNMOBKCUSSCPQRI-UHFFFAOYSA-N
XLogP3.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
CID 103752776
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 103752787
N-(cyclopentylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82828965
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzamide
CID 63656583
N-(cyclopropylmethyl)-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62235862
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 114037709
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide (CID 103754238) is 2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide is CN(CC1CCCCC1)C(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is NMOBKCUSSCPQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-17(10-11-6-3-2-4-7-11)14(18)12-8-5-9-16-13(12)15/h5,8-9,11H,2-4,6-7,10H2,1H3.
What are the key properties of 2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide?
2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 103754238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).