2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide

C13H10F3N3O — CID 107338694

IUPAC2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C13H10F3N3O/c14-10-3-9(4-11(15)13(10)16)19-12(20)5-8-2-1-7(17)6-18-8/h1-4,6H,5,17H2,(H,19,20)
InChIKeyXRMAJNGMOQTYKN-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.26
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide

2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide (PubChem CID 107338694) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide
PubChem CID107338694
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C13H10F3N3O/c14-10-3-9(4-11(15)13(10)16)19-12(20)5-8-2-1-7(17)6-18-8/h1-4,6H,5,17H2,(H,19,20)
InChIKeyXRMAJNGMOQTYKN-UHFFFAOYSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 107337468
2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 114052733
2-(5-amino-2-pyridinyl)-N-(3,5-dimethoxyphenyl)acetamide
CID 107337401
N-(4-acetamidophenyl)-2-(5-amino-2-pyridinyl)acetamide
CID 107337507
2-(5-amino-2-pyridinyl)-N-(3,4-dichlorophenyl)acetamide
CID 107337411
2-(5-amino-2-pyridinyl)-N-(2-chloro-5-fluorophenyl)acetamide
CID 107528543
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid
CID 107338179
3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide
CID 107337783
2-(5-amino-2-pyridinyl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 107337793
2-(5-amino-2-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 107337408
2-(5-amino-2-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 107337459
2-(5-amino-2-pyridinyl)-N-(3-chloro-2-fluorophenyl)acetamide
CID 107337541

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide (CID 107338694) is 2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide is Nc1ccc(CC(=O)Nc2cc(F)c(F)c(F)c2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide?
The InChIKey is XRMAJNGMOQTYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-10-3-9(4-11(15)13(10)16)19-12(20)5-8-2-1-7(17)6-18-8/h1-4,6H,5,17H2,(H,19,20).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide?
2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 281.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 107338694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).