N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C15H12F3N3O2 — CID 2250593

IUPACN-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)11-4-1-5-12(7-11)21-14(23)13(22)20-9-10-3-2-6-19-8-10/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeySFZKZCUUPGERMX-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.36
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 2250593) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID2250593
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC NameN-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)11-4-1-5-12(7-11)21-14(23)13(22)20-9-10-3-2-6-19-8-10/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeySFZKZCUUPGERMX-UHFFFAOYSA-N
XLogP2.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 2250593) is N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is O=C(NCc1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is SFZKZCUUPGERMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-15(17,18)11-4-1-5-12(7-11)21-14(23)13(22)20-9-10-3-2-6-19-8-10/h1-8H,9H2,(H,20,22)(H,21,23).
What are the key properties of N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 323.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 2250593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).