2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide

C14H15BrN4O — CID 103755463

IUPAC2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
SMILESO=C(NC1CCCC1n1ccnc1)c1ccnc(Br)c1
InChIInChI=1S/C14H15BrN4O/c15-13-8-10(4-5-17-13)14(20)18-11-2-1-3-12(11)19-7-6-16-9-19/h4-9,11-12H,1-3H2,(H,18,20)
InChIKeyUEDXELCFNITRGX-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.56
Rot. Bonds3

About 2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide

2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide (PubChem CID 103755463) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
PubChem CID103755463
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
SMILESO=C(NC1CCCC1n1ccnc1)c1ccnc(Br)c1
InChIInChI=1S/C14H15BrN4O/c15-13-8-10(4-5-17-13)14(20)18-11-2-1-3-12(11)19-7-6-16-9-19/h4-9,11-12H,1-3H2,(H,18,20)
InChIKeyUEDXELCFNITRGX-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 103763911
2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 79704385
3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide
CID 95572970
5-chloro-N-(2-imidazol-1-ylcyclopentyl)furan-2-carboxamide
CID 103617988
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide
CID 110127815
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 103754162
2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 103755142
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 95980741
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide
CID 110127780
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136587543
N-(2-imidazol-1-ylcyclopentyl)-2-(methylamino)acetamide
CID 43713522

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide (CID 103755463) is 2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide is O=C(NC1CCCC1n1ccnc1)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide?
The InChIKey is UEDXELCFNITRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-13-8-10(4-5-17-13)14(20)18-11-2-1-3-12(11)19-7-6-16-9-19/h4-9,11-12H,1-3H2,(H,18,20).
What are the key properties of 2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide?
2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide is sourced from PubChem (CID 103755463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).