4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide

C18H17IN6O — CID 121064919

IUPAC4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(Nc2ccccn2)nn1)c1ccc(I)cc1
InChIInChI=1S/C18H17IN6O/c19-14-6-4-13(5-7-14)18(26)22-12-11-21-16-8-9-17(25-24-16)23-15-3-1-2-10-20-15/h1-10H,11-12H2,(H,21,24)(H,22,26)(H,20,23,25)
InChIKeyWLSZTLFRFLKNSB-UHFFFAOYSA-N
MW460.28 g/mol
LogP3.06
Rot. Bonds7

About 4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide

4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 121064919) has the molecular formula C18H17IN6O and a molecular weight of 460.28 g/mol. Its IUPAC name is 4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID121064919
Molecular FormulaC18H17IN6O
Molecular Weight460.28 g/mol
Exact Mass460.05
IUPAC Name4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(Nc2ccccn2)nn1)c1ccc(I)cc1
InChIInChI=1S/C18H17IN6O/c19-14-6-4-13(5-7-14)18(26)22-12-11-21-16-8-9-17(25-24-16)23-15-3-1-2-10-20-15/h1-10H,11-12H2,(H,21,24)(H,22,26)(H,20,23,25)
InChIKeyWLSZTLFRFLKNSB-UHFFFAOYSA-N
XLogP3.06
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.28
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121065155
3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064834
2-(2-fluorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288882
1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064857
2-(2-chlorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288805
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 70702534
2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288891
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoxaline-6-carboxamide
CID 122314374
1-(3,5-difluorophenyl)-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064952
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-2-carboxamide
CID 122288531
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-4-pyrrol-1-ylbenzamide
CID 122314351

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (CID 121064919) is 4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is O=C(NCCNc1ccc(Nc2ccccn2)nn1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is WLSZTLFRFLKNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN6O/c19-14-6-4-13(5-7-14)18(26)22-12-11-21-16-8-9-17(25-24-16)23-15-3-1-2-10-20-15/h1-10H,11-12H2,(H,21,24)(H,22,26)(H,20,23,25).
What are the key properties of 4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 460.28 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 121064919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).