2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide

C11H14F3N3O — CID 115522139

IUPAC2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCCCC(F)(F)F)ccn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)4-1-2-5-17-10(18)8-3-6-16-9(15)7-8/h3,6-7H,1-2,4-5H2,(H2,15,16)(H,17,18)
InChIKeyJIAXZMBDBKMKAO-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.13
Rot. Bonds5

About 2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide

2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide (PubChem CID 115522139) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
PubChem CID115522139
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCCCC(F)(F)F)ccn1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)4-1-2-5-17-10(18)8-3-6-16-9(15)7-8/h3,6-7H,1-2,4-5H2,(H2,15,16)(H,17,18)
InChIKeyJIAXZMBDBKMKAO-UHFFFAOYSA-N
XLogP2.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115492102
3-amino-N-(5,5,5-trifluoropentyl)benzamide
CID 113326624
2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 63962518
4-amino-3-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 115519387
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
2-amino-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 62155665
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-carboxamide
CID 115491628
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406
3-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839347
3-amino-4-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326613
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 112527763

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide (CID 115522139) is 2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCCCCC(F)(F)F)ccn1.
What is the InChIKey of 2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide?
The InChIKey is JIAXZMBDBKMKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)4-1-2-5-17-10(18)8-3-6-16-9(15)7-8/h3,6-7H,1-2,4-5H2,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide?
2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide is sourced from PubChem (CID 115522139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).