3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide

C11H11IN4O — CID 65098547

IUPAC3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide
SMILESO=C(CCn1ccnc1)Nc1ccc(I)cn1
InChIInChI=1S/C11H11IN4O/c12-9-1-2-10(14-7-9)15-11(17)3-5-16-6-4-13-8-16/h1-2,4,6-8H,3,5H2,(H,14,15,17)
InChIKeyLRGDJHQPYSCMHY-UHFFFAOYSA-N
MW342.14 g/mol
LogP1.91
Rot. Bonds4

About 3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide

3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide (PubChem CID 65098547) has the molecular formula C11H11IN4O and a molecular weight of 342.14 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide
PubChem CID65098547
Molecular FormulaC11H11IN4O
Molecular Weight342.14 g/mol
Exact Mass342.00
IUPAC Name3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide
SMILESO=C(CCn1ccnc1)Nc1ccc(I)cn1
InChIInChI=1S/C11H11IN4O/c12-9-1-2-10(14-7-9)15-11(17)3-5-16-6-4-13-8-16/h1-2,4,6-8H,3,5H2,(H,14,15,17)
InChIKeyLRGDJHQPYSCMHY-UHFFFAOYSA-N
XLogP1.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
CID 115627274
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
N-(3-chloropyrazin-2-yl)-3-imidazol-1-ylpropanamide
CID 102989504
6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid
CID 63643768
3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
CID 60647736
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide
CID 112688400
N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide
CID 46339273
N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 15944403
1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
CID 86788667
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
N-(5-iodo-2-pyridinyl)-3-phenoxypropanamide
CID 65098781

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide?
The IUPAC name of 3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide (CID 65098547) is 3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide?
The canonical SMILES for 3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide is O=C(CCn1ccnc1)Nc1ccc(I)cn1.
What is the InChIKey of 3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide?
The InChIKey is LRGDJHQPYSCMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4O/c12-9-1-2-10(14-7-9)15-11(17)3-5-16-6-4-13-8-16/h1-2,4,6-8H,3,5H2,(H,14,15,17).
What are the key properties of 3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide?
3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide has a molecular weight of 342.14 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide is sourced from PubChem (CID 65098547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).