1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one

C10H12F3N3O — CID 116588569

IUPAC1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one
SMILESNc1ccncc1CC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)6-16-5-8(17)3-7-4-15-2-1-9(7)14/h1-2,4,16H,3,5-6H2,(H2,14,15)
InChIKeyWSJATDPGHYILMZ-UHFFFAOYSA-N
MW247.22 g/mol
LogP0.93
Rot. Bonds5

About 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one

1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one (PubChem CID 116588569) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one
PubChem CID116588569
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one
SMILESNc1ccncc1CC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)6-16-5-8(17)3-7-4-15-2-1-9(7)14/h1-2,4,16H,3,5-6H2,(H2,14,15)
InChIKeyWSJATDPGHYILMZ-UHFFFAOYSA-N
XLogP0.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3-pyridinyl)-3-(propylamino)propan-2-one
CID 116562799
1-(3-fluoro-4-pyridinyl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 116588590
4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one
CID 116608441
1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116588598
1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
CID 103446391
1-(4-amino-3-pyridinyl)-4-(2-methoxyethoxy)butan-2-one
CID 102927478
1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
CID 79617121
1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone
CID 116558765
2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447755
1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one
CID 64759762
3-(5,5,5-trifluoro-2-hydrazinylpentyl)pyridin-4-amine
CID 105249119
4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one (CID 116588569) is 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one is Nc1ccncc1CC(=O)CNCC(F)(F)F.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The InChIKey is WSJATDPGHYILMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)6-16-5-8(17)3-7-4-15-2-1-9(7)14/h1-2,4,16H,3,5-6H2,(H2,14,15).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one has a molecular weight of 247.22 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one is sourced from PubChem (CID 116588569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).