(1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C15H18BrN3O — CID 126643073

IUPAC(1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@@]12C[C@@H](C(=O)Nc3nc(Br)ccc3C3CC3)N[C@@H]1C2
InChIInChI=1S/C15H18BrN3O/c1-15-6-10(17-11(15)7-15)14(20)19-13-9(8-2-3-8)4-5-12(16)18-13/h4-5,8,10-11,17H,2-3,6-7H2,1H3,(H,18,19,20)/t10-,11+,15-/m0/s1
InChIKeyMDVZVQHDCSMCLZ-RWSFTLGLSA-N
MW336.23 g/mol
LogP2.80
Rot. Bonds3

About (1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 126643073) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is (1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID126643073
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name(1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@@]12C[C@@H](C(=O)Nc3nc(Br)ccc3C3CC3)N[C@@H]1C2
InChIInChI=1S/C15H18BrN3O/c1-15-6-10(17-11(15)7-15)14(20)19-13-9(8-2-3-8)4-5-12(16)18-13/h4-5,8,10-11,17H,2-3,6-7H2,1H3,(H,18,19,20)/t10-,11+,15-/m0/s1
InChIKeyMDVZVQHDCSMCLZ-RWSFTLGLSA-N
XLogP2.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-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-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 140776836
N-[6-bromo-3-[(3,3-difluoroazetidin-1-yl)methyl]-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 153456692
N-(6-bromo-5-fluoro-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 153456542
(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
(2S,4R,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-4-[(dimethylamino)methyl]-5-iodopyrrolidine-2-carboxamide
CID 170083500
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-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
(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
(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

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 126643073) is (1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is C[C@@]12C[C@@H](C(=O)Nc3nc(Br)ccc3C3CC3)N[C@@H]1C2.
What is the InChIKey of (1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is MDVZVQHDCSMCLZ-RWSFTLGLSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-15-6-10(17-11(15)7-15)14(20)19-13-9(8-2-3-8)4-5-12(16)18-13/h4-5,8,10-11,17H,2-3,6-7H2,1H3,(H,18,19,20)/t10-,11+,15-/m0/s1.
What are the key properties of (1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 126643073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).