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

C11H12BrN3O — CID 175857408

IUPAC(1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cccc(Br)n1)C1C[C@H]2C[C@@H]2N1
InChIInChI=1S/C11H12BrN3O/c12-9-2-1-3-10(14-9)15-11(16)8-5-6-4-7(6)13-8/h1-3,6-8,13H,4-5H2,(H,14,15,16)/t6-,7+,8?/m1/s1
InChIKeyCGBRVJPEIRCWIL-KVARREAHSA-N
MW282.14 g/mol
LogP1.53
Rot. Bonds2

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

(1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 175857408) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is (1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID175857408
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name(1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1cccc(Br)n1)C1C[C@H]2C[C@@H]2N1
InChIInChI=1S/C11H12BrN3O/c12-9-2-1-3-10(14-9)15-11(16)8-5-6-4-7(6)13-8/h1-3,6-8,13H,4-5H2,(H,14,15,16)/t6-,7+,8?/m1/s1
InChIKeyCGBRVJPEIRCWIL-KVARREAHSA-N
XLogP1.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020380
(3S,5R)-N-(6-bromopyrazin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126622509
(1R,3S,5R)-N-(6-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 166518234
N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 140776836
N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide
CID 140776721
N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
CID 43520512
N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168753842
N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43520475
(1R,2S,5S)-N-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 126653838
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 166772337
N-(6-bromo-2-pyridinyl)-4,4-dimethylpyrrolidine-2-carboxamide
CID 166772445
N-(6-methyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119827443

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 175857408) is (1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1cccc(Br)n1)C1C[C@H]2C[C@@H]2N1.
What is the InChIKey of (1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is CGBRVJPEIRCWIL-KVARREAHSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-9-2-1-3-10(14-9)15-11(16)8-5-6-4-7(6)13-8/h1-3,6-8,13H,4-5H2,(H,14,15,16)/t6-,7+,8?/m1/s1.
What are the key properties of (1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 282.14 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 175857408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).