N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C14H16BrN3O — CID 140776836

IUPACN-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1nc(Br)ccc1C1CC1)C1CC2CC2N1
InChIInChI=1S/C14H16BrN3O/c15-12-4-3-9(7-1-2-7)13(17-12)18-14(19)11-6-8-5-10(8)16-11/h3-4,7-8,10-11,16H,1-2,5-6H2,(H,17,18,19)
InChIKeyUWXKDNYWIWSBJY-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.41
Rot. Bonds3

About N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 140776836) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID140776836
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1nc(Br)ccc1C1CC1)C1CC2CC2N1
InChIInChI=1S/C14H16BrN3O/c15-12-4-3-9(7-1-2-7)13(17-12)18-14(19)11-6-8-5-10(8)16-11/h3-4,7-8,10-11,16H,1-2,5-6H2,(H,17,18,19)
InChIKeyUWXKDNYWIWSBJY-UHFFFAOYSA-N
XLogP2.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.41
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-bromo-3-fluoro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 166518234
(1S,5R)-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 175857408
(1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126643073
(2S,4R,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-4-[(dimethylamino)methyl]-5-iodopyrrolidine-2-carboxamide
CID 170083500
(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
N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168753842
(3S)-N-(6-bromo-3-methyl-2-pyridinyl)-2-azabicyclo[2.2.2]octane-3-carboxamide
CID 135318621
(1S,3S,5S)-N-(1H-pyrazol-4-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131089748
(1S,3S,5S)-N-cyclopropyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130878717
N-[6-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168753845
N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide
CID 140776709

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 140776836) is N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1nc(Br)ccc1C1CC1)C1CC2CC2N1.
What is the InChIKey of N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is UWXKDNYWIWSBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-12-4-3-9(7-1-2-7)13(17-12)18-14(19)11-6-8-5-10(8)16-11/h3-4,7-8,10-11,16H,1-2,5-6H2,(H,17,18,19).
What are the key properties of N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-cyclopropyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 140776836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).