N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide

C23H21F3N4O — CID 41089339

IUPACN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O/c24-23(25,26)19-7-3-2-6-18(19)22(31)27-17-10-8-16(9-11-17)20-12-13-21(29-28-20)30-14-4-1-5-15-30/h2-3,6-13H,1,4-5,14-15H2,(H,27,31)
InChIKeyHSYGLOIGQPYXQS-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.41
Rot. Bonds4

About N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide

N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 41089339) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID41089339
Molecular FormulaC23H21F3N4O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC NameN-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O/c24-23(25,26)19-7-3-2-6-18(19)22(31)27-17-10-8-16(9-11-17)20-12-13-21(29-28-20)30-14-4-1-5-15-30/h2-3,6-13H,1,4-5,14-15H2,(H,27,31)
InChIKeyHSYGLOIGQPYXQS-UHFFFAOYSA-N
XLogP5.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 41077882
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43992565
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 41089324
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 121046314
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992587
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide (CID 41089339) is N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide is O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is HSYGLOIGQPYXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O/c24-23(25,26)19-7-3-2-6-18(19)22(31)27-17-10-8-16(9-11-17)20-12-13-21(29-28-20)30-14-4-1-5-15-30/h2-3,6-13H,1,4-5,14-15H2,(H,27,31).
What are the key properties of N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 426.44 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 41089339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).