2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

C14H11F3N4O2 — CID 6899887

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccccn1
InChIInChI=1S/C14H11F3N4O2/c15-14(16,17)10-4-5-13(23)21(8-10)9-12(22)20-19-7-11-3-1-2-6-18-11/h1-8H,9H2,(H,20,22)/b19-7+
InChIKeyBVTLHCHQSDLQJQ-FBCYGCLPSA-N
MW324.26 g/mol
LogP1.41
Rot. Bonds4

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 6899887) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID6899887
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccccn1
InChIInChI=1S/C14H11F3N4O2/c15-14(16,17)10-4-5-13(23)21(8-10)9-12(22)20-19-7-11-3-1-2-6-18-11/h1-8H,9H2,(H,20,22)/b19-7+
InChIKeyBVTLHCHQSDLQJQ-FBCYGCLPSA-N
XLogP1.41
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (CID 6899887) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccccn1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is BVTLHCHQSDLQJQ-FBCYGCLPSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c15-14(16,17)10-4-5-13(23)21(8-10)9-12(22)20-19-7-11-3-1-2-6-18-11/h1-8H,9H2,(H,20,22)/b19-7+.
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 324.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6899887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).