N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide

C9H8FN3O — CID 63978782

IUPACN-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
SMILESN#CCCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C9H8FN3O/c10-8-3-2-7(6-13-8)9(14)12-5-1-4-11/h2-3,6H,1,5H2,(H,12,14)
InChIKeyIKUVGYCYNGPFOI-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.86
Rot. Bonds3

About N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide

N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide (PubChem CID 63978782) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
PubChem CID63978782
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC NameN-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
SMILESN#CCCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C9H8FN3O/c10-8-3-2-7(6-13-8)9(14)12-5-1-4-11/h2-3,6H,1,5H2,(H,12,14)
InChIKeyIKUVGYCYNGPFOI-UHFFFAOYSA-N
XLogP0.86
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63979683
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide
CID 103719344
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
N-(2-cyanoethyl)pyrimidine-5-carboxamide
CID 102921796
N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide
CID 63971968
N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
CID 115668746
N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
CID 154026015
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide (CID 63978782) is N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide is N#CCCNC(=O)c1ccc(F)nc1.
What is the InChIKey of N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is IKUVGYCYNGPFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-8-3-2-7(6-13-8)9(14)12-5-1-4-11/h2-3,6H,1,5H2,(H,12,14).
What are the key properties of N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide?
N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 193.18 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63978782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).