3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide

C21H17FN6O — CID 67452929

IUPAC3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide
SMILESN#CC1CCC1(Nc1ccc(-c2cc(C(N)=O)ccc2F)nn1)c1ccccn1
InChIInChI=1S/C21H17FN6O/c22-16-5-4-13(20(24)29)11-15(16)17-6-7-19(28-27-17)26-21(9-8-14(21)12-23)18-3-1-2-10-25-18/h1-7,10-11,14H,8-9H2,(H2,24,29)(H,26,28)
InChIKeyJVQMSXSSQLAMFI-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.02
Rot. Bonds5

About 3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide

3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide (PubChem CID 67452929) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is 3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide
PubChem CID67452929
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide
SMILESN#CC1CCC1(Nc1ccc(-c2cc(C(N)=O)ccc2F)nn1)c1ccccn1
InChIInChI=1S/C21H17FN6O/c22-16-5-4-13(20(24)29)11-15(16)17-6-7-19(28-27-17)26-21(9-8-14(21)12-23)18-3-1-2-10-25-18/h1-7,10-11,14H,8-9H2,(H2,24,29)(H,26,28)
InChIKeyJVQMSXSSQLAMFI-UHFFFAOYSA-N
XLogP3.02
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide with MolForge

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Related Compounds

4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzoic acid
CID 67453651
3-[6-[[1-[(3Z,5E)-6-amino-5-methoxyhexa-1,3,5-trien-2-yl]cyclobutyl]amino]pyridazin-3-yl]-4-fluorobenzamide
CID 88899648
4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 121281912
4-fluoro-3-[6-[2-(6-oxo-2,5-dihydro-1H-pyridin-2-yl)propan-2-ylamino]pyridazin-3-yl]benzamide
CID 118498063
4-fluoro-3-[3-[(1-pyridin-2-ylcyclobutyl)methylamino]-1,2,4-triazin-6-yl]benzoic acid
CID 118467349
4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide
CID 136949525
3-[6-[1-[6-(difluoromethoxy)-2-pyridinyl]propan-2-ylamino]pyridazin-3-yl]-4-fluorobenzamide
CID 123512575
3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile
CID 136949527
3-[3-(tert-butylamino)-1,2,4-triazin-6-yl]-4-fluorobenzamide
CID 54591005
2-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]acetonitrile
CID 116971845
3-[3-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-triazin-6-yl]-4-hydroxybenzamide
CID 136510325
3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 67451168

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide?
The IUPAC name of 3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide (CID 67452929) is 3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide?
The canonical SMILES for 3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide is N#CC1CCC1(Nc1ccc(-c2cc(C(N)=O)ccc2F)nn1)c1ccccn1.
What is the InChIKey of 3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide?
The InChIKey is JVQMSXSSQLAMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c22-16-5-4-13(20(24)29)11-15(16)17-6-7-19(28-27-17)26-21(9-8-14(21)12-23)18-3-1-2-10-25-18/h1-7,10-11,14H,8-9H2,(H2,24,29)(H,26,28).
What are the key properties of 3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide?
3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide has a molecular weight of 388.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 67452929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).