3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide

C10H13F3N4O — CID 105072384

IUPAC3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide
SMILESNNc1cnccc1C(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)3-1-4-16-9(18)7-2-5-15-6-8(7)17-14/h2,5-6,17H,1,3-4,14H2,(H,16,18)
InChIKeyUXXPLLLASZITII-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.44
Rot. Bonds5

About 3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide

3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide (PubChem CID 105072384) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide
PubChem CID105072384
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide
SMILESNNc1cnccc1C(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)3-1-4-16-9(18)7-2-5-15-6-8(7)17-14/h2,5-6,17H,1,3-4,14H2,(H,16,18)
InChIKeyUXXPLLLASZITII-UHFFFAOYSA-N
XLogP1.44
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydrazinyl-N-(4,4,4-trifluorobutyl)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

4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 115522203
3-hydrazinyl-N-(4-methylpentyl)pyridine-4-carboxamide
CID 105072134
3-hydrazinyl-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105072201
3-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 105071676
N-(2-cyclobutylethyl)-3-hydrazinylpyridine-4-carboxamide
CID 105072473
3-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105071873
N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256347
N-[2-(dimethylsulfamoyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
CID 106340949
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072536
N-ethyl-3-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105071681
N-[2-(dimethylamino)propyl]-3-hydrazinylpyridine-4-carboxamide
CID 105071837
3-hydrazinyl-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 105072445

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide?
The IUPAC name of 3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide (CID 105072384) is 3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide is NNc1cnccc1C(=O)NCCCC(F)(F)F.
What is the InChIKey of 3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide?
The InChIKey is UXXPLLLASZITII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)3-1-4-16-9(18)7-2-5-15-6-8(7)17-14/h2,5-6,17H,1,3-4,14H2,(H,16,18).
What are the key properties of 3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide?
3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide is sourced from PubChem (CID 105072384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).