N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide

C15H21BrN2O — CID 106754242

IUPACN-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2(CBr)CCC(C)CC2)ccn1
InChIInChI=1S/C15H21BrN2O/c1-11-3-6-15(10-16,7-4-11)18-14(19)13-5-8-17-12(2)9-13/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H,18,19)
InChIKeyVEKJOOVFRXXQMK-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.46
Rot. Bonds3

About N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide

N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide (PubChem CID 106754242) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide
PubChem CID106754242
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2(CBr)CCC(C)CC2)ccn1
InChIInChI=1S/C15H21BrN2O/c1-11-3-6-15(10-16,7-4-11)18-14(19)13-5-8-17-12(2)9-13/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H,18,19)
InChIKeyVEKJOOVFRXXQMK-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.46
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-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxy-4-methylbenzamide
CID 114315089
N-[1-(bromomethyl)-4-methylcyclohexyl]-3-chloro-4-iodobenzamide
CID 103212546
3-bromo-N-[1-(bromomethyl)-4-methylcyclohexyl]-5-chlorobenzamide
CID 107941282
3-methyl-1-[(2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106752561
N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 113275709
4-ethyl-1-[(2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106752502
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 114314847
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-(3-bromophenyl)acetamide
CID 114314942
1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106752503
N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
CID 114311461

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide (CID 106754242) is N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC2(CBr)CCC(C)CC2)ccn1.
What is the InChIKey of N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide?
The InChIKey is VEKJOOVFRXXQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-3-6-15(10-16,7-4-11)18-14(19)13-5-8-17-12(2)9-13/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide?
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-4-methylcyclohexyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106754242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).