5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide

C15H14F3N5O2 — CID 86859159

IUPAC5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)cn1
InChIInChI=1S/C15H14F3N5O2/c16-15(17,18)10-2-1-5-20-13(10)21-6-7-22-14(25)9-3-4-11(12(19)24)23-8-9/h1-5,8H,6-7H2,(H2,19,24)(H,20,21)(H,22,25)
InChIKeyOCPHJUJNFJNDTF-UHFFFAOYSA-N
MW353.30 g/mol
LogP1.44
Rot. Bonds6

About 5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide

5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide (PubChem CID 86859159) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide
PubChem CID86859159
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)cn1
InChIInChI=1S/C15H14F3N5O2/c16-15(17,18)10-2-1-5-20-13(10)21-6-7-22-14(25)9-3-4-11(12(19)24)23-8-9/h1-5,8H,6-7H2,(H2,19,24)(H,20,21)(H,22,25)
InChIKeyOCPHJUJNFJNDTF-UHFFFAOYSA-N
XLogP1.44
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide 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-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide
CID 133313933
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040895
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 131963289
5-N-propylpyridine-2,5-dicarboxamide
CID 47460537
4-bromo-3-(dimethylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55969923
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
2-thiophen-2-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51090526
1-phenyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrazole-3-carboxamide
CID 55834000
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55834263
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932878
3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55933893

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide (CID 86859159) is 5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide is NC(=O)c1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)cn1.
What is the InChIKey of 5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide?
The InChIKey is OCPHJUJNFJNDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c16-15(17,18)10-2-1-5-20-13(10)21-6-7-22-14(25)9-3-4-11(12(19)24)23-8-9/h1-5,8H,6-7H2,(H2,19,24)(H,20,21)(H,22,25).
What are the key properties of 5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide?
5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide has a molecular weight of 353.30 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 86859159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).