N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide

C24H25F3N4O2 — CID 163734217

IUPACN-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide
SMILESCCCC(CCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccc(N)nn1
InChIInChI=1S/C24H25F3N4O2/c1-2-3-16(21-12-13-22(28)31-30-21)14-15-29-23(32)17-4-8-19(9-5-17)33-20-10-6-18(7-11-20)24(25,26)27/h4-13,16H,2-3,14-15H2,1H3,(H2,28,31)(H,29,32)
InChIKeyLCFDXTVBEVBYKZ-UHFFFAOYSA-N
MW458.48 g/mol
LogP5.57
Rot. Bonds9

About N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide

N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide (PubChem CID 163734217) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide
PubChem CID163734217
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide
SMILESCCCC(CCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccc(N)nn1
InChIInChI=1S/C24H25F3N4O2/c1-2-3-16(21-12-13-22(28)31-30-21)14-15-29-23(32)17-4-8-19(9-5-17)33-20-10-6-18(7-11-20)24(25,26)27/h4-13,16H,2-3,14-15H2,1H3,(H2,28,31)(H,29,32)
InChIKeyLCFDXTVBEVBYKZ-UHFFFAOYSA-N
XLogP5.57
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide (CID 163734217) is N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide is CCCC(CCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccc(N)nn1.
What is the InChIKey of N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is LCFDXTVBEVBYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-2-3-16(21-12-13-22(28)31-30-21)14-15-29-23(32)17-4-8-19(9-5-17)33-20-10-6-18(7-11-20)24(25,26)27/h4-13,16H,2-3,14-15H2,1H3,(H2,28,31)(H,29,32).
What are the key properties of N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide?
N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 458.48 g/mol, XLogP of 5.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-aminopyridazin-3-yl)hexyl]-4-[4-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 163734217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).