N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

C16H13F3N4O2 — CID 5341811

IUPACN-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(NCc1ccccn1)C(=O)N/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)13-7-2-1-5-11(13)9-22-23-15(25)14(24)21-10-12-6-3-4-8-20-12/h1-9H,10H2,(H,21,24)(H,23,25)/b22-9+
InChIKeyOJZLTFSXBFWXHC-LSFURLLWSA-N
MW350.30 g/mol
LogP1.87
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide

N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (PubChem CID 5341811) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
PubChem CID5341811
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC NameN-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
SMILESO=C(NCc1ccccn1)C(=O)N/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)13-7-2-1-5-11(13)9-22-23-15(25)14(24)21-10-12-6-3-4-8-20-12/h1-9H,10H2,(H,21,24)(H,23,25)/b22-9+
InChIKeyOJZLTFSXBFWXHC-LSFURLLWSA-N
XLogP1.87
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide (CID 5341811) is N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is O=C(NCc1ccccn1)C(=O)N/N=C/c1ccccc1C(F)(F)F.
What is the InChIKey of N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
The InChIKey is OJZLTFSXBFWXHC-LSFURLLWSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c17-16(18,19)13-7-2-1-5-11(13)9-22-23-15(25)14(24)21-10-12-6-3-4-8-20-12/h1-9H,10H2,(H,21,24)(H,23,25)/b22-9+.
What are the key properties of N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide?
N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide has a molecular weight of 350.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-N'-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 5341811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).