N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

C13H16BrClFN3O — CID 153456542

IUPACN-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
SMILESCc1cc(F)c(Br)nc1NC(=O)C1CC2(C)CC2N1.Cl
InChIInChI=1S/C13H15BrFN3O.ClH/c1-6-3-7(15)10(14)17-11(6)18-12(19)8-4-13(2)5-9(13)16-8;/h3,8-9,16H,4-5H2,1-2H3,(H,17,18,19);1H
InChIKeyZUFJLHWUSZEAQL-UHFFFAOYSA-N
MW364.65 g/mol
LogP2.79
Rot. Bonds2

About N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride (PubChem CID 153456542) has the molecular formula C13H16BrClFN3O and a molecular weight of 364.65 g/mol. Its IUPAC name is N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
PubChem CID153456542
Molecular FormulaC13H16BrClFN3O
Molecular Weight364.65 g/mol
Exact Mass363.01
IUPAC NameN-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
SMILESCc1cc(F)c(Br)nc1NC(=O)C1CC2(C)CC2N1.Cl
InChIInChI=1S/C13H15BrFN3O.ClH/c1-6-3-7(15)10(14)17-11(6)18-12(19)8-4-13(2)5-9(13)16-8;/h3,8-9,16H,4-5H2,1-2H3,(H,17,18,19);1H
InChIKeyZUFJLHWUSZEAQL-UHFFFAOYSA-N
XLogP2.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.65
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride 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

(1R,3S,5R)-N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 135318781
5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 167316692
(1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126643073
N-[6-bromo-3-[(3,3-difluoroazetidin-1-yl)methyl]-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 153456692
(1R,3S,5R)-N-(6-bromo-4-propyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 135317505
(1R,3S,5R)-5-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176786633
(1R,3S,5R)-N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-[2-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 166559314
(1R,3S,5R)-N-(6-bromo-3-methyl-2-pyridinyl)-5-[(3,3,3-trifluoropropanoylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 142420531
N-(6-bromo-3-methyl-2-pyridinyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 153456766
(3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 166696969
N-(6-bromo-3-methyl-2-pyridinyl)-5-[(4-methylimidazol-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 153456699
2-methylpropyl 2-[(6-bromo-5-fluoro-3-methyl-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylate
CID 167529627

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride (CID 153456542) is N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride is Cc1cc(F)c(Br)nc1NC(=O)C1CC2(C)CC2N1.Cl.
What is the InChIKey of N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The InChIKey is ZUFJLHWUSZEAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O.ClH/c1-6-3-7(15)10(14)17-11(6)18-12(19)8-4-13(2)5-9(13)16-8;/h3,8-9,16H,4-5H2,1-2H3,(H,17,18,19);1H.
What are the key properties of N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride has a molecular weight of 364.65 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride is sourced from PubChem (CID 153456542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).