N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide

C13H10F3N3O2 — CID 116628390

IUPACN-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide
SMILESNc1cccnc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)21-9-5-3-8(4-6-9)12(20)19-11-10(17)2-1-7-18-11/h1-7H,17H2,(H,18,19,20)
InChIKeyJWLJNNDWOTUXCB-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.81
Rot. Bonds3

About N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide

N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide (PubChem CID 116628390) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide
PubChem CID116628390
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC NameN-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide
SMILESNc1cccnc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)21-9-5-3-8(4-6-9)12(20)19-11-10(17)2-1-7-18-11/h1-7H,17H2,(H,18,19,20)
InChIKeyJWLJNNDWOTUXCB-UHFFFAOYSA-N
XLogP2.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)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

4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 59672975
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
tert-butyl 2-[[4-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate
CID 172846856
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide (CID 116628390) is N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide is Nc1cccnc1NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is JWLJNNDWOTUXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)21-9-5-3-8(4-6-9)12(20)19-11-10(17)2-1-7-18-11/h1-7H,17H2,(H,18,19,20).
What are the key properties of N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide?
N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 297.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116628390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).