5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide

C12H13BrN4O — CID 51155858

IUPAC5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cncc(Br)c1
InChIInChI=1S/C12H13BrN4O/c13-11-6-10(7-15-8-11)12(18)16-2-1-4-17-5-3-14-9-17/h3,5-9H,1-2,4H2,(H,16,18)
InChIKeyFRTRPVAFHOXVDX-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.86
Rot. Bonds5

About 5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide

5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 51155858) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
PubChem CID51155858
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cncc(Br)c1
InChIInChI=1S/C12H13BrN4O/c13-11-6-10(7-15-8-11)12(18)16-2-1-4-17-5-3-14-9-17/h3,5-9H,1-2,4H2,(H,16,18)
InChIKeyFRTRPVAFHOXVDX-UHFFFAOYSA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641423
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35323449
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide (CID 51155858) is 5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide is O=C(NCCCn1ccnc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is FRTRPVAFHOXVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c13-11-6-10(7-15-8-11)12(18)16-2-1-4-17-5-3-14-9-17/h3,5-9H,1-2,4H2,(H,16,18).
What are the key properties of 5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide?
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 51155858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).