N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide

C24H28F3N5O2 — CID 59541096

About N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide

N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide (PubChem CID 59541096) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 59541096
• Molecular Formula: C24H28F3N5O2
• Molecular Weight: 475.52 g/mol
• Exact Mass: 475.22
• IUPAC Name: N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide
• SMILES: C=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(Oc3cccnn3)CC2)C1
• InChI: InChI=1S/C24H28F3N5O2/c1-16(13-28-23(33)17-4-2-5-18(12-17)24(25,26)27)30-19-14-32(15-19)20-7-9-21(10-8-20)34-22-6-3-11-29-31-22/h2-6,11-12,19-21,30H,1,7-10,13-15H2,(H,28,33)
• InChIKey: YBUWXGQDLYVMOP-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.52
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide (CID 59541096) is N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide is C=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(Oc3cccnn3)CC2)C1.

What is the InChIKey of N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide?

The InChIKey is YBUWXGQDLYVMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-16(13-28-23(33)17-4-2-5-18(12-17)24(25,26)27)30-19-14-32(15-19)20-7-9-21(10-8-20)34-22-6-3-11-29-31-22/h2-6,11-12,19-21,30H,1,7-10,13-15H2,(H,28,33).

What are the key properties of N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide?

N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide has a molecular weight of 475.52 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-(4-pyridazin-3-yloxycyclohexyl)azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59541096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).