3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide

C12H13F3N4O — CID 136574314

IUPAC3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1ccnc(C(F)(F)F)c1N
InChIInChI=1S/C12H13F3N4O/c1-2-3-7(6-16)19-11(20)8-4-5-18-10(9(8)17)12(13,14)15/h4-5,7H,2-3,17H2,1H3,(H,19,20)
InChIKeyHEXFXCWAWDPFCK-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.10
Rot. Bonds4

About 3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide

3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 136574314) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID136574314
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1ccnc(C(F)(F)F)c1N
InChIInChI=1S/C12H13F3N4O/c1-2-3-7(6-16)19-11(20)8-4-5-18-10(9(8)17)12(13,14)15/h4-5,7H,2-3,17H2,1H3,(H,19,20)
InChIKeyHEXFXCWAWDPFCK-UHFFFAOYSA-N
XLogP2.10
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-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

3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide
CID 66462809
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
CID 82829779
N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
CID 103337419
N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865389
N-(1-cyanobutyl)-2,4-difluoro-5-methylbenzamide
CID 113249764
N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344554
N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 96523164
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893927
N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 136574302
N-(1-cyanobutyl)-2,6-dimethoxybenzamide
CID 61120301

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide (CID 136574314) is 3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide is CCCC(C#N)NC(=O)c1ccnc(C(F)(F)F)c1N.
What is the InChIKey of 3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is HEXFXCWAWDPFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-2-3-7(6-16)19-11(20)8-4-5-18-10(9(8)17)12(13,14)15/h4-5,7H,2-3,17H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide?
3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 286.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyanobutyl)-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 136574314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).