N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C13H13BrN2O — CID 103809869

IUPACN-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1CC2C=CC1C2
InChIInChI=1S/C13H13BrN2O/c14-12-4-3-10(7-15-12)16-13(17)11-6-8-1-2-9(11)5-8/h1-4,7-9,11H,5-6H2,(H,16,17)
InChIKeyAGTQNNKYHHZQME-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.99
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 103809869) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID103809869
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1CC2C=CC1C2
InChIInChI=1S/C13H13BrN2O/c14-12-4-3-10(7-15-12)16-13(17)11-6-8-1-2-9(11)5-8/h1-4,7-9,11H,5-6H2,(H,16,17)
InChIKeyAGTQNNKYHHZQME-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596
N-(5-bromo-1,3-thiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60654763
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 113255457
N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 146085431
N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 13416955
N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide
CID 103813896
(1R,2S,4S)-N-[4-(3-methylbutanoylamino)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98273326
N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 110672131
5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid
CID 24704021
N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103789368
N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide
CID 102676297

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 103809869) is N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(Nc1ccc(Br)nc1)C1CC2C=CC1C2.
What is the InChIKey of N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is AGTQNNKYHHZQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-4-3-10(7-15-12)16-13(17)11-6-8-1-2-9(11)5-8/h1-4,7-9,11H,5-6H2,(H,16,17).
What are the key properties of N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 293.16 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 103809869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).