6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide

C11H11BrN4O — CID 103889552

IUPAC6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1cccc(Br)n1
InChIInChI=1S/C11H11BrN4O/c12-10-3-1-2-9(15-10)11(17)14-5-7-16-6-4-13-8-16/h1-4,6,8H,5,7H2,(H,14,17)
InChIKeyTXNVYQWKXFWCFT-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.47
Rot. Bonds4

About 6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide

6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide (PubChem CID 103889552) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
PubChem CID103889552
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1cccc(Br)n1
InChIInChI=1S/C11H11BrN4O/c12-10-3-1-2-9(15-10)11(17)14-5-7-16-6-4-13-8-16/h1-4,6,8H,5,7H2,(H,14,17)
InChIKeyTXNVYQWKXFWCFT-UHFFFAOYSA-N
XLogP1.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.47
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

6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
N-(2-imidazol-1-ylethyl)-6-[(2-imidazol-1-ylethylamino)methyl]pyridine-2-carboxamide
CID 174225056
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 75395653
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62248208
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
2-(aminomethyl)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66376914
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005
5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide
CID 47099001
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide (CID 103889552) is 6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide is O=C(NCCn1ccnc1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is TXNVYQWKXFWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-10-3-1-2-9(15-10)11(17)14-5-7-16-6-4-13-8-16/h1-4,6,8H,5,7H2,(H,14,17).
What are the key properties of 6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide?
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 103889552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).