N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide

C12H16BrN3O — CID 142751130

IUPACN-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide
SMILESNC1CCC(Br)CC1NC(=O)c1cccnc1
InChIInChI=1S/C12H16BrN3O/c13-9-3-4-10(14)11(6-9)16-12(17)8-2-1-5-15-7-8/h1-2,5,7,9-11H,3-4,6,14H2,(H,16,17)
InChIKeyAEYQJOOKAGHQBL-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.45
Rot. Bonds2

About N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide

N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide (PubChem CID 142751130) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide
PubChem CID142751130
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide
SMILESNC1CCC(Br)CC1NC(=O)c1cccnc1
InChIInChI=1S/C12H16BrN3O/c13-9-3-4-10(14)11(6-9)16-12(17)8-2-1-5-15-7-8/h1-2,5,7,9-11H,3-4,6,14H2,(H,16,17)
InChIKeyAEYQJOOKAGHQBL-UHFFFAOYSA-N
XLogP1.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-bromocyclohexyl)pyridine-3-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-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-cyclopentylpyridine-3-carboxamide
CID 805532
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 171149979
trans-methyl (1S,2S)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylate
CID 97053849
[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate
CID 59671285
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448
N-[(2-bromocyclopropyl)-hydroxymethyl]pyridine-3-carboxamide
CID 145337212
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide
CID 99987360
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide (CID 142751130) is N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide is NC1CCC(Br)CC1NC(=O)c1cccnc1.
What is the InChIKey of N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide?
The InChIKey is AEYQJOOKAGHQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-9-3-4-10(14)11(6-9)16-12(17)8-2-1-5-15-7-8/h1-2,5,7,9-11H,3-4,6,14H2,(H,16,17).
What are the key properties of N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide?
N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 142751130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).