5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C13H9F4N3O — CID 81312479

IUPAC5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C13H9F4N3O/c14-10-3-2-8(5-9(10)13(15,16)17)20-12(21)11-4-1-7(18)6-19-11/h1-6H,18H2,(H,20,21)
InChIKeyMFVVYAWGUQLEMA-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.07
Rot. Bonds2

About 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 81312479) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID81312479
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC Name5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C13H9F4N3O/c14-10-3-2-8(5-9(10)13(15,16)17)20-12(21)11-4-1-7(18)6-19-11/h1-6H,18H2,(H,20,21)
InChIKeyMFVVYAWGUQLEMA-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide 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

4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62159635
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
N-(4-acetamidophenyl)-5-aminopyridine-2-carboxamide
CID 81319300
5-[4-fluoro-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
CID 107372340
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 61228423
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788471
5-amino-N-[3-[(1S,7S)-3-amino-4-thia-2-azabicyclo[5.1.0]oct-2-en-1-yl]-4-fluorophenyl]pyridine-2-carboxamide
CID 71202373
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 81312479) is 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Nc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)nc1.
What is the InChIKey of 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is MFVVYAWGUQLEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c14-10-3-2-8(5-9(10)13(15,16)17)20-12(21)11-4-1-7(18)6-19-11/h1-6H,18H2,(H,20,21).
What are the key properties of 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 299.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 81312479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).