N'-iodo-N-pyridin-4-ylpropanediamide

C8H8IN3O2 — CID 122468435

IUPACN'-iodo-N-pyridin-4-ylpropanediamide
SMILESO=C(CC(=O)Nc1ccncc1)NI
InChIInChI=1S/C8H8IN3O2/c9-12-8(14)5-7(13)11-6-1-3-10-4-2-6/h1-4H,5H2,(H,12,14)(H,10,11,13)
InChIKeyGGEIXVDMYCRSCV-UHFFFAOYSA-N
MW305.08 g/mol
LogP0.88
Rot. Bonds3

About N'-iodo-N-pyridin-4-ylpropanediamide

N'-iodo-N-pyridin-4-ylpropanediamide (PubChem CID 122468435) has the molecular formula C8H8IN3O2 and a molecular weight of 305.08 g/mol. Its IUPAC name is N'-iodo-N-pyridin-4-ylpropanediamide.

Molecular Properties

Compound NameN'-iodo-N-pyridin-4-ylpropanediamide
PubChem CID122468435
Molecular FormulaC8H8IN3O2
Molecular Weight305.08 g/mol
Exact Mass304.97
IUPAC NameN'-iodo-N-pyridin-4-ylpropanediamide
SMILESO=C(CC(=O)Nc1ccncc1)NI
InChIInChI=1S/C8H8IN3O2/c9-12-8(14)5-7(13)11-6-1-3-10-4-2-6/h1-4H,5H2,(H,12,14)(H,10,11,13)
InChIKeyGGEIXVDMYCRSCV-UHFFFAOYSA-N
XLogP0.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N,2-dipyridin-4-ylacetamide
CID 110468100
4,4,4-trifluoro-N-pyridin-4-ylbutanamide
CID 155981646
3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide
CID 22887386
N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947860
N-pyridin-4-yl-2-pyridin-3-yloxyacetamide
CID 110487864
[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride
CID 44666570
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
2-(2-ethoxyphenoxy)-N-pyridin-4-ylacetamide
CID 78802593
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312

Frequently Asked Questions

What is the IUPAC name of N'-iodo-N-pyridin-4-ylpropanediamide?
The IUPAC name of N'-iodo-N-pyridin-4-ylpropanediamide (CID 122468435) is N'-iodo-N-pyridin-4-ylpropanediamide.
What is the SMILES notation for N'-iodo-N-pyridin-4-ylpropanediamide?
The canonical SMILES for N'-iodo-N-pyridin-4-ylpropanediamide is O=C(CC(=O)Nc1ccncc1)NI.
What is the InChIKey of N'-iodo-N-pyridin-4-ylpropanediamide?
The InChIKey is GGEIXVDMYCRSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3O2/c9-12-8(14)5-7(13)11-6-1-3-10-4-2-6/h1-4H,5H2,(H,12,14)(H,10,11,13).
What are the key properties of N'-iodo-N-pyridin-4-ylpropanediamide?
N'-iodo-N-pyridin-4-ylpropanediamide has a molecular weight of 305.08 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-iodo-N-pyridin-4-ylpropanediamide is sourced from PubChem (CID 122468435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).