N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide

C11H14BrN3O — CID 103813896

IUPACN-(6-bromo-3-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1CCNCC1
InChIInChI=1S/C11H14BrN3O/c12-10-2-1-9(7-14-10)15-11(16)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2,(H,15,16)
InChIKeyBOSNNFIUKKNMFD-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.78
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide

N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 103813896) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)piperidine-4-carboxamide
PubChem CID103813896
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-(6-bromo-3-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1CCNCC1
InChIInChI=1S/C11H14BrN3O/c12-10-2-1-9(7-14-10)15-11(16)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2,(H,15,16)
InChIKeyBOSNNFIUKKNMFD-UHFFFAOYSA-N
XLogP1.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.78
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

N-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106832051
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
N-(6-bromo-3-pyridinyl)morpholine-2-carboxamide
CID 103813958
N-(6-benzamido-3-pyridinyl)piperidine-4-carboxamide
CID 119893870
N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103789368
piperidin-4-yl (1R,2R,3R,4S)-3-[(6-bromo-3-pyridinyl)carbamoyl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carboxylate
CID 87945654
N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide
CID 102676297
N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119305621
2-[5-(piperidine-4-carbonylamino)-2-pyridinyl]pyridine-4-carboxamide
CID 137352117
N-(4-formylphenyl)piperidine-4-carboxamide
CID 130269398
N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103809869
N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 110672131

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide (CID 103813896) is N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)nc1)C1CCNCC1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is BOSNNFIUKKNMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-10-2-1-9(7-14-10)15-11(16)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2,(H,15,16).
What are the key properties of N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide?
N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 103813896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).