N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide

C13H18BrN3O — CID 79121873

IUPACN-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)cn1)C1CCC(N)CC1
InChIInChI=1S/C13H18BrN3O/c1-17(11-5-3-10(15)4-6-11)13(18)12-7-2-9(14)8-16-12/h2,7-8,10-11H,3-6,15H2,1H3
InChIKeyKXFQZRLICMGESG-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.19
Rot. Bonds2

About N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide

N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide (PubChem CID 79121873) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide
PubChem CID79121873
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC NameN-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)cn1)C1CCC(N)CC1
InChIInChI=1S/C13H18BrN3O/c1-17(11-5-3-10(15)4-6-11)13(18)12-7-2-9(14)8-16-12/h2,7-8,10-11H,3-6,15H2,1H3
InChIKeyKXFQZRLICMGESG-UHFFFAOYSA-N
XLogP2.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-aminocyclohexyl)-5-bromo-N-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-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104637892
N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
CID 79112080
5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 62954377
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82738552
2-N-cycloheptyl-2-N-methylpyridine-2,5-dicarboxamide
CID 51098301
5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 81318919
N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 79121302
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 77005098
N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide
CID 79115416
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-2-carboxamide
CID 104639321
N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
CID 79121540

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide (CID 79121873) is N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(Br)cn1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide?
The InChIKey is KXFQZRLICMGESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-17(11-5-3-10(15)4-6-11)13(18)12-7-2-9(14)8-16-12/h2,7-8,10-11H,3-6,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide?
N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 79121873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).