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

C10H13F3N4O — CID 115522203

IUPAC4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
SMILESNNc1ccncc1C(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)3-1-4-16-9(18)7-6-15-5-2-8(7)17-14/h2,5-6H,1,3-4,14H2,(H,15,17)(H,16,18)
InChIKeyXFSMSVLGDXPCBX-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.44
Rot. Bonds5

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

4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide (PubChem CID 115522203) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
PubChem CID115522203
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
SMILESNNc1ccncc1C(=O)NCCCC(F)(F)F
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)3-1-4-16-9(18)7-6-15-5-2-8(7)17-14/h2,5-6H,1,3-4,14H2,(H,15,17)(H,16,18)
InChIKeyXFSMSVLGDXPCBX-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 4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-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-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide
CID 105072384
N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256347
4-hydrazinyl-N-(2-sulfamoylethyl)pyridine-3-carboxamide
CID 81256506
4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
CID 115522193
N-[2-(tert-butylamino)-2-oxoethyl]-4-hydrazinylpyridine-3-carboxamide
CID 115357279
5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 113328075
3-hydrazinyl-N-(4-methylpentyl)pyridine-4-carboxamide
CID 105072134
3-hydrazinyl-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105072201
N-(cyclopentylmethyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256785
1-amino-N-(4,4,4-trifluorobutyl)isoquinoline-4-carboxamide
CID 106772541
3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide
CID 174671869
4-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 114139724

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The IUPAC name of 4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide (CID 115522203) is 4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The canonical SMILES for 4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide is NNc1ccncc1C(=O)NCCCC(F)(F)F.
What is the InChIKey of 4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The InChIKey is XFSMSVLGDXPCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)3-1-4-16-9(18)7-6-15-5-2-8(7)17-14/h2,5-6H,1,3-4,14H2,(H,15,17)(H,16,18).
What are the key properties of 4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-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 4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 115522203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).