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

C13H9F4N3O — CID 81234405

IUPAC4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H9F4N3O/c14-9-2-1-7(13(15,16)17)5-11(9)20-12(21)8-6-19-4-3-10(8)18/h1-6H,(H2,18,19)(H,20,21)
InChIKeyPLDIFTLJPDZZQS-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.07
Rot. Bonds2

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

4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 81234405) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID81234405
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC Name4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H9F4N3O/c14-9-2-1-7(13(15,16)17)5-11(9)20-12(21)8-6-19-4-3-10(8)18/h1-6H,(H2,18,19)(H,20,21)
InChIKeyPLDIFTLJPDZZQS-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 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-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-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103874425
N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66464357
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330823
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359614
4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
CID 81245018
3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062709
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 103752711
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 3042222
4-amino-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 81235930

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 81234405) is 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Nc1ccncc1C(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is PLDIFTLJPDZZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c14-9-2-1-7(13(15,16)17)5-11(9)20-12(21)8-6-19-4-3-10(8)18/h1-6H,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-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 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 81234405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).