N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide

C15H9F6N3O2 — CID 86807604

IUPACN'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
SMILESO=C(Nc1cccnc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9F6N3O2/c16-14(17,18)8-4-9(15(19,20)21)6-11(5-8)24-13(26)12(25)23-10-2-1-3-22-7-10/h1-7H,(H,23,25)(H,24,26)
InChIKeyYTWSVVFOTJSCSQ-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.70
Rot. Bonds2

About N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide

N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide (PubChem CID 86807604) has the molecular formula C15H9F6N3O2 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide.

Molecular Properties

Compound NameN'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
PubChem CID86807604
Molecular FormulaC15H9F6N3O2
Molecular Weight377.24 g/mol
Exact Mass377.06
IUPAC NameN'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
SMILESO=C(Nc1cccnc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H9F6N3O2/c16-14(17,18)8-4-9(15(19,20)21)6-11(5-8)24-13(26)12(25)23-10-2-1-3-22-7-10/h1-7H,(H,23,25)(H,24,26)
InChIKeyYTWSVVFOTJSCSQ-UHFFFAOYSA-N
XLogP3.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
CID 108865005
N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide
CID 86805127
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
CID 108529062
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530336
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523144
N-(4-acetylphenyl)-N'-pyridin-3-yloxamide
CID 108514790
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide
CID 100722444
N-[3-methyl-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119049246
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571
N-pyridin-3-ylprop-2-ynamide
CID 130904210
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640

Frequently Asked Questions

What is the IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide?
The IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide (CID 86807604) is N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide.
What is the SMILES notation for N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide?
The canonical SMILES for N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide is O=C(Nc1cccnc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide?
The InChIKey is YTWSVVFOTJSCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O2/c16-14(17,18)8-4-9(15(19,20)21)6-11(5-8)24-13(26)12(25)23-10-2-1-3-22-7-10/h1-7H,(H,23,25)(H,24,26).
What are the key properties of N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide?
N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide has a molecular weight of 377.24 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide is sourced from PubChem (CID 86807604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).