2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

C17H11F3N4O2 — CID 121052528

IUPAC2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H11F3N4O2/c18-11-3-4-13(17(20)16(11)19)22-14(25)9-24-15(26)6-5-12(23-24)10-2-1-7-21-8-10/h1-8H,9H2,(H,22,25)
InChIKeyCFOJZOCUXYFILD-UHFFFAOYSA-N
MW360.30 g/mol
LogP2.36
Rot. Bonds4

About 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 121052528) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID121052528
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H11F3N4O2/c18-11-3-4-13(17(20)16(11)19)22-14(25)9-24-15(26)6-5-12(23-24)10-2-1-7-21-8-10/h1-8H,9H2,(H,22,25)
InChIKeyCFOJZOCUXYFILD-UHFFFAOYSA-N
XLogP2.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 121052528) is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(Cn1nc(-c2cccnc2)ccc1=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is CFOJZOCUXYFILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c18-11-3-4-13(17(20)16(11)19)22-14(25)9-24-15(26)6-5-12(23-24)10-2-1-7-21-8-10/h1-8H,9H2,(H,22,25).
What are the key properties of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 360.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 121052528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).