N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide

C14H12F3N3O — CID 113034847

IUPACN-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H12F3N3O/c1-9(21)19-13-6-5-12(8-18-13)20-11-4-2-3-10(7-11)14(15,16)17/h2-8,20H,1H3,(H,18,19,21)
InChIKeyVWMALZBAFWRKJD-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.80
Rot. Bonds3

About N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide

N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide (PubChem CID 113034847) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
PubChem CID113034847
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H12F3N3O/c1-9(21)19-13-6-5-12(8-18-13)20-11-4-2-3-10(7-11)14(15,16)17/h2-8,20H,1H3,(H,18,19,21)
InChIKeyVWMALZBAFWRKJD-UHFFFAOYSA-N
XLogP3.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034872
2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
CID 110178309
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161
5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200292
tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035163
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
CID 113035126
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
CID 113020231
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
[4-[3-(trifluoromethyl)anilino]phenyl]urea
CID 90643997
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
CID 113020236

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide (CID 113034847) is N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide?
The InChIKey is VWMALZBAFWRKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-9(21)19-13-6-5-12(8-18-13)20-11-4-2-3-10(7-11)14(15,16)17/h2-8,20H,1H3,(H,18,19,21).
What are the key properties of N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide?
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide has a molecular weight of 295.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide is sourced from PubChem (CID 113034847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).