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

C18H17FN6O — CID 121064834

IUPAC3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(Nc2ccccn2)nn1)c1cccc(F)c1
InChIInChI=1S/C18H17FN6O/c19-14-5-3-4-13(12-14)18(26)22-11-10-21-16-7-8-17(25-24-16)23-15-6-1-2-9-20-15/h1-9,12H,10-11H2,(H,21,24)(H,22,26)(H,20,23,25)
InChIKeyJGZMLXJKSMQEMT-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.60
Rot. Bonds7

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

3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 121064834) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID121064834
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(Nc2ccccn2)nn1)c1cccc(F)c1
InChIInChI=1S/C18H17FN6O/c19-14-5-3-4-13(12-14)18(26)22-11-10-21-16-7-8-17(25-24-16)23-15-6-1-2-9-20-15/h1-9,12H,10-11H2,(H,21,24)(H,22,26)(H,20,23,25)
InChIKeyJGZMLXJKSMQEMT-UHFFFAOYSA-N
XLogP2.60
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064919
2-(2-fluorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288882
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]benzamide
CID 121064497
3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide
CID 20820016
2-chloro-4-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
CID 71800122
3-(4-fluorophenoxy)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 122288707
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoxaline-6-carboxamide
CID 122314374
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-[(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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide (CID 121064834) is 3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is O=C(NCCNc1ccc(Nc2ccccn2)nn1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is JGZMLXJKSMQEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-14-5-3-4-13(12-14)18(26)22-11-10-21-16-7-8-17(25-24-16)23-15-6-1-2-9-20-15/h1-9,12H,10-11H2,(H,21,24)(H,22,26)(H,20,23,25).
What are the key properties of 3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide?
3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 352.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 121064834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).