4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide

C16H15IN4O2 — CID 3101281

IUPAC4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
SMILESCC(CC(=O)Nc1ccccn1)=NNC(=O)c1ccc(I)cc1
InChIInChI=1S/C16H15IN4O2/c1-11(10-15(22)19-14-4-2-3-9-18-14)20-21-16(23)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,21,23)(H,18,19,22)
InChIKeyGALPOLAZPHVKQG-UHFFFAOYSA-N
MW422.23 g/mol
LogP2.82
Rot. Bonds5

About 4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide

4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide (PubChem CID 3101281) has the molecular formula C16H15IN4O2 and a molecular weight of 422.23 g/mol. Its IUPAC name is 4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
PubChem CID3101281
Molecular FormulaC16H15IN4O2
Molecular Weight422.23 g/mol
Exact Mass422.02
IUPAC Name4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
SMILESCC(CC(=O)Nc1ccccn1)=NNC(=O)c1ccc(I)cc1
InChIInChI=1S/C16H15IN4O2/c1-11(10-15(22)19-14-4-2-3-9-18-14)20-21-16(23)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,21,23)(H,18,19,22)
InChIKeyGALPOLAZPHVKQG-UHFFFAOYSA-N
XLogP2.82
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 3101285
N-[[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]benzamide
CID 4233732
N-tert-butyl-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 4610512
3-amino-5-nitro-N-[(E)-[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 171979086
4-iodo-N-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide
CID 46501048
N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 171981064
4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798
N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide
CID 3129985
N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 5033190
N-(3-methylphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 3101293
N-[(Z)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 7226939
N-[(Z)-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 6157977

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide?
The IUPAC name of 4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide (CID 3101281) is 4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide.
What is the SMILES notation for 4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide?
The canonical SMILES for 4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide is CC(CC(=O)Nc1ccccn1)=NNC(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide?
The InChIKey is GALPOLAZPHVKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN4O2/c1-11(10-15(22)19-14-4-2-3-9-18-14)20-21-16(23)12-5-7-13(17)8-6-12/h2-9H,10H2,1H3,(H,21,23)(H,18,19,22).
What are the key properties of 4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide?
4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide has a molecular weight of 422.23 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide is sourced from PubChem (CID 3101281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).