5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide

C11H11BrN4O — CID 23404169

IUPAC5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(Br)cn1
InChIInChI=1S/C11H11BrN4O/c12-8-1-2-10(15-5-8)11(17)14-4-3-9-6-13-7-16-9/h1-2,5-7H,3-4H2,(H,13,16)(H,14,17)
InChIKeyYISNISKXNIFYBY-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.54
Rot. Bonds4

About 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide

5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide (PubChem CID 23404169) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide
PubChem CID23404169
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(Br)cn1
InChIInChI=1S/C11H11BrN4O/c12-8-1-2-10(15-5-8)11(17)14-4-3-9-6-13-7-16-9/h1-2,5-7H,3-4H2,(H,13,16)(H,14,17)
InChIKeyYISNISKXNIFYBY-UHFFFAOYSA-N
XLogP1.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 65236814
5-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 107375934
3-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzamide
CID 104852790
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 65236933
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66483968
N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027842
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
5-bromo-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 62958321
5-bromo-N-[3-(methylamino)propyl]pyridine-2-carboxamide;dihydrochloride
CID 119431575
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide (CID 23404169) is 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide is O=C(NCCc1cnc[nH]1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is YISNISKXNIFYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-8-1-2-10(15-5-8)11(17)14-4-3-9-6-13-7-16-9/h1-2,5-7H,3-4H2,(H,13,16)(H,14,17).
What are the key properties of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide?
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 23404169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).