N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide

C15H12F3N3O3 — CID 86995360

IUPACN-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O3/c16-15(17,18)24-12-3-1-2-11(8-12)21-14(23)13(22)20-9-10-4-6-19-7-5-10/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeySCHQPADJTZPSLL-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.24
Rot. Bonds4

About N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide

N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide (PubChem CID 86995360) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide
PubChem CID86995360
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC NameN-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H12F3N3O3/c16-15(17,18)24-12-3-1-2-11(8-12)21-14(23)13(22)20-9-10-4-6-19-7-5-10/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeySCHQPADJTZPSLL-UHFFFAOYSA-N
XLogP2.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38260097
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518293
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299
N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 47224625
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
1-(1-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-1-ium-2-yl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 162542090
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
CID 165436568

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide (CID 86995360) is N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide is O=C(NCc1ccncc1)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide?
The InChIKey is SCHQPADJTZPSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c16-15(17,18)24-12-3-1-2-11(8-12)21-14(23)13(22)20-9-10-4-6-19-7-5-10/h1-8H,9H2,(H,20,22)(H,21,23).
What are the key properties of N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide?
N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide has a molecular weight of 339.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-N'-[3-(trifluoromethoxy)phenyl]oxamide is sourced from PubChem (CID 86995360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).