N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide

C13H15BrN2O — CID 103789368

IUPACN-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1C2CCCCC21
InChIInChI=1S/C13H15BrN2O/c14-11-6-5-8(7-15-11)16-13(17)12-9-3-1-2-4-10(9)12/h5-7,9-10,12H,1-4H2,(H,16,17)
InChIKeyMJQVADAVHNGGQC-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.22
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 103789368) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID103789368
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC NameN-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1C2CCCCC21
InChIInChI=1S/C13H15BrN2O/c14-11-6-5-8(7-15-11)16-13(17)12-9-3-1-2-4-10(9)12/h5-7,9-10,12H,1-4H2,(H,16,17)
InChIKeyMJQVADAVHNGGQC-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 6968106
N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide
CID 103813896
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
N-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106832051
N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600560
(2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide
CID 89310972
N-(6-bromo-3-pyridinyl)-2-(oxan-2-yl)acetamide
CID 110614780
N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103809869
N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide
CID 102676297
N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 110672131
N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106912187
(1S,8S)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 950516

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 103789368) is N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(Nc1ccc(Br)nc1)C1C2CCCCC21.
What is the InChIKey of N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is MJQVADAVHNGGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-11-6-5-8(7-15-11)16-13(17)12-9-3-1-2-4-10(9)12/h5-7,9-10,12H,1-4H2,(H,16,17).
What are the key properties of N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 295.18 g/mol, XLogP of 3.22, 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[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 103789368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).