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

C15H9F6N3O — CID 2746440

IUPACN-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide
SMILESN/C(=N\C(=O)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H9F6N3O/c16-14(17,18)9-3-1-2-8(6-9)13(25)24-12(22)11-5-4-10(7-23-11)15(19,20)21/h1-7H,(H2,22,24,25)
InChIKeyWFVPMYYGTMFXMH-UHFFFAOYSA-N
MW361.25 g/mol
LogP3.66
Rot. Bonds2

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

N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide (PubChem CID 2746440) has the molecular formula C15H9F6N3O and a molecular weight of 361.25 g/mol. Its IUPAC name is N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide
PubChem CID2746440
Molecular FormulaC15H9F6N3O
Molecular Weight361.25 g/mol
Exact Mass361.06
IUPAC NameN-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide
SMILESN/C(=N\C(=O)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H9F6N3O/c16-14(17,18)9-3-1-2-8(6-9)13(25)24-12(22)11-5-4-10(7-23-11)15(19,20)21/h1-7H,(H2,22,24,25)
InChIKeyWFVPMYYGTMFXMH-UHFFFAOYSA-N
XLogP3.66
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)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

3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
N-(5-amino-2-pyridinyl)-4-trifluoromethylbenzamide
CID 24752865
Bupicomide
CID 31447
N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 5333835
2-Ethylisonicotinamide
CID 76905
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10369373
3,5-dimethyl-N-pyridin-4-ylbenzamide
CID 912558
2,3,4,5,6-pentafluoro-N-4-pyridinylbenzamide
CID 2292990
2-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 5335659
4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
CID 5720743

Frequently Asked Questions

What is the IUPAC name of N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide (CID 2746440) is N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide is N/C(=N\C(=O)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide?
The InChIKey is WFVPMYYGTMFXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O/c16-14(17,18)9-3-1-2-8(6-9)13(25)24-12(22)11-5-4-10(7-23-11)15(19,20)21/h1-7H,(H2,22,24,25).
What are the key properties of N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide?
N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide has a molecular weight of 361.25 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[5-(trifluoromethyl)-2-pyridinyl]methylidene]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2746440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).