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

C18H17IN6O — CID 121065155

IUPAC4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc(I)cc1
InChIInChI=1S/C18H17IN6O/c19-14-3-1-13(2-4-14)18(26)22-12-11-21-16-5-6-17(25-24-16)23-15-7-9-20-10-8-15/h1-10H,11-12H2,(H,21,24)(H,22,26)(H,20,23,25)
InChIKeyZVDBIYPIRYOFNS-UHFFFAOYSA-N
MW460.28 g/mol
LogP3.06
Rot. Bonds7

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

4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 121065155) has the molecular formula C18H17IN6O and a molecular weight of 460.28 g/mol. Its IUPAC name is 4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID121065155
Molecular FormulaC18H17IN6O
Molecular Weight460.28 g/mol
Exact Mass460.05
IUPAC Name4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc(I)cc1
InChIInChI=1S/C18H17IN6O/c19-14-3-1-13(2-4-14)18(26)22-12-11-21-16-5-6-17(25-24-16)23-15-7-9-20-10-8-15/h1-10H,11-12H2,(H,21,24)(H,22,26)(H,20,23,25)
InChIKeyZVDBIYPIRYOFNS-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-chloro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700446
4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289215
4-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700102
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 42111935
3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56699027
4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064919
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122289061
3-fluoro-4-methoxy-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289154
2-(4-fluorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065151
1-(4-tert-butylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 122289294
2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065101
4-chloro-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066456

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (CID 121065155) is 4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is ZVDBIYPIRYOFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN6O/c19-14-3-1-13(2-4-14)18(26)22-12-11-21-16-5-6-17(25-24-16)23-15-7-9-20-10-8-15/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-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
4-iodo-N-[2-[[6-(pyridin-4-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-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 121065155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).