4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide

C13H11F3N4O — CID 28846992

IUPAC4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(C(F)(F)F)cnc2N)cc1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)8-5-10(11(17)19-6-8)20-9-3-1-7(2-4-9)12(18)21/h1-6,20H,(H2,17,19)(H2,18,21)
InChIKeySMQQGTLRHIKCSW-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.53
Rot. Bonds3

About 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide

4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide (PubChem CID 28846992) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide
PubChem CID28846992
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC Name4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(C(F)(F)F)cnc2N)cc1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)8-5-10(11(17)19-6-8)20-9-3-1-7(2-4-9)12(18)21/h1-6,20H,(H2,17,19)(H2,18,21)
InChIKeySMQQGTLRHIKCSW-UHFFFAOYSA-N
XLogP2.53
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide 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

3-N-(4-phenoxyphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28847148
2-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]-4-chlorophenol
CID 28847177
3-amino-4-[3-(trifluoromethyl)anilino]benzamide
CID 43448394
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 175895572
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide
CID 155393217
4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide
CID 93208845
4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 174917876
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
4-[2-fluoro-5-(trifluoromethyl)anilino]benzenecarbothioamide
CID 63037884
4-[[5-amino-6-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 22541316

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide?
The IUPAC name of 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide (CID 28846992) is 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide.
What is the SMILES notation for 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide?
The canonical SMILES for 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide is NC(=O)c1ccc(Nc2cc(C(F)(F)F)cnc2N)cc1.
What is the InChIKey of 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide?
The InChIKey is SMQQGTLRHIKCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-13(15,16)8-5-10(11(17)19-6-8)20-9-3-1-7(2-4-9)12(18)21/h1-6,20H,(H2,17,19)(H2,18,21).
What are the key properties of 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide?
4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide has a molecular weight of 296.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide is sourced from PubChem (CID 28846992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).