5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one

C16H18F3N3O — CID 126572575

IUPAC5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc(N)c(NCCC(F)(F)F)c2)cn(C)c1=O
InChIInChI=1S/C16H18F3N3O/c1-10-7-12(9-22(2)15(10)23)11-3-4-13(20)14(8-11)21-6-5-16(17,18)19/h3-4,7-9,21H,5-6,20H2,1-2H3
InChIKeySGWUFNODNZEWPF-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.31
Rot. Bonds4

About 5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one

5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one (PubChem CID 126572575) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one
PubChem CID126572575
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc(N)c(NCCC(F)(F)F)c2)cn(C)c1=O
InChIInChI=1S/C16H18F3N3O/c1-10-7-12(9-22(2)15(10)23)11-3-4-13(20)14(8-11)21-6-5-16(17,18)19/h3-4,7-9,21H,5-6,20H2,1-2H3
InChIKeySGWUFNODNZEWPF-UHFFFAOYSA-N
XLogP3.31
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2'-Amino-4'-trifluoromethylacetanilide
CID 2779452
6-(Dipropylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 16090310
6-(Dibutylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 16090311
(3z)-3-{[(2-Methoxyethyl)amino]methylidene}-1-Methyl-5-Phenyl-7-(Trifluoromethyl)-1h-1,5-Benzodiazepine-2,4(3h,5h)-Dione
CID 53357432
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 953311
1-allyl-N-(3,4-dimethylphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486113
4-(4-Ethyl-2-fluoroanilino)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11437715
N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 70681458
Acetamide, N-(4-piperidinophenethyl)-2,2,2-trifluoro-
CID 38067
Acetamide, N-(beta-methyl-4-piperidinophenethyl)-2,2,2-trifluoro-
CID 38068
N-[4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 1067937
N-(tert-butyl)-N'-(4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}phenyl)urea
CID 1486053

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one (CID 126572575) is 5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc(N)c(NCCC(F)(F)F)c2)cn(C)c1=O.
What is the InChIKey of 5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is SGWUFNODNZEWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-10-7-12(9-22(2)15(10)23)11-3-4-13(20)14(8-11)21-6-5-16(17,18)19/h3-4,7-9,21H,5-6,20H2,1-2H3.
What are the key properties of 5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one?
5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 325.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-3-(3,3,3-trifluoropropylamino)phenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 126572575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).