N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide

C24H23F3N4O — CID 41089285

IUPACN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)nn2)CC1
InChIInChI=1S/C24H23F3N4O/c1-16-12-14-31(15-13-16)22-11-10-21(29-30-22)17-4-8-20(9-5-17)28-23(32)18-2-6-19(7-3-18)24(25,26)27/h2-11,16H,12-15H2,1H3,(H,28,32)
InChIKeyZAHFSBWAZPSOJD-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.65
Rot. Bonds4

About N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide

N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 41089285) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID41089285
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC NameN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)nn2)CC1
InChIInChI=1S/C24H23F3N4O/c1-16-12-14-31(15-13-16)22-11-10-21(29-30-22)17-4-8-20(9-5-17)28-23(32)18-2-6-19(7-3-18)24(25,26)27/h2-11,16H,12-15H2,1H3,(H,28,32)
InChIKeyZAHFSBWAZPSOJD-UHFFFAOYSA-N
XLogP5.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 41089324
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide
CID 121046365
6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109113261
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide
CID 121046362
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43991300
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41077791
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109205376

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 41089285) is N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide is CC1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)nn2)CC1.
What is the InChIKey of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZAHFSBWAZPSOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O/c1-16-12-14-31(15-13-16)22-11-10-21(29-30-22)17-4-8-20(9-5-17)28-23(32)18-2-6-19(7-3-18)24(25,26)27/h2-11,16H,12-15H2,1H3,(H,28,32).
What are the key properties of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide?
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 440.47 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 41089285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).