N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide

C11H11BrN4O — CID 103789490

IUPACN-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ccc(Br)nc1
InChIInChI=1S/C11H11BrN4O/c12-10-2-1-9(7-14-10)15-11(17)3-5-16-6-4-13-8-16/h1-2,4,6-8H,3,5H2,(H,15,17)
InChIKeySKIMZMKTSJTFMO-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.07
Rot. Bonds4

About N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide

N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide (PubChem CID 103789490) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
PubChem CID103789490
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC NameN-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ccc(Br)nc1
InChIInChI=1S/C11H11BrN4O/c12-10-2-1-9(7-14-10)15-11(17)3-5-16-6-4-13-8-16/h1-2,4,6-8H,3,5H2,(H,15,17)
InChIKeySKIMZMKTSJTFMO-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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

N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103789384
3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
CID 60647736
3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide
CID 65098547
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
CID 115627274
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751
N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide
CID 103789408
N-(3-chloropyrazin-2-yl)-3-imidazol-1-ylpropanamide
CID 102989504
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-imidazol-1-ylpropanamide
CID 61013976
N-(3,4-dihydro-1H-isochromen-6-yl)-3-imidazol-1-ylpropanamide
CID 166244983
N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide
CID 61130314

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide (CID 103789490) is N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide?
The InChIKey is SKIMZMKTSJTFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-10-2-1-9(7-14-10)15-11(17)3-5-16-6-4-13-8-16/h1-2,4,6-8H,3,5H2,(H,15,17).
What are the key properties of N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide?
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide has a molecular weight of 295.14 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 103789490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).