N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide

C23H18F3N5O2 — CID 66653014

About N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide

N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide (PubChem CID 66653014) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide
• PubChem CID: 66653014
• Molecular Formula: C23H18F3N5O2
• Molecular Weight: 453.42 g/mol
• Exact Mass: 453.14
• IUPAC Name: N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide
• SMILES: O=C(Nc1cccnn1)N1C=CC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
• InChI: InChI=1S/C23H18F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-8,10-11,13-15H,9,12H2,(H,29,30,32)
• InChIKey: YTTBOGWTFIFLJK-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.42
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide?

The IUPAC name of N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide (CID 66653014) is N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide.

What is the SMILES notation for N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide?

The canonical SMILES for N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide is O=C(Nc1cccnn1)N1C=CC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.

What is the InChIKey of N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide?

The InChIKey is YTTBOGWTFIFLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-8,10-11,13-15H,9,12H2,(H,29,30,32).

What are the key properties of N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide?

N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide has a molecular weight of 453.42 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 66653014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).