6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide

C12H17FN2O2 — CID 115627193

IUPAC6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
SMILESCC(C)COCCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C12H17FN2O2/c1-9(2)8-17-6-5-14-12(16)10-3-4-11(13)15-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyWBTHKHPAGRLQOR-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.62
Rot. Bonds6

About 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide

6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide (PubChem CID 115627193) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
PubChem CID115627193
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
SMILESCC(C)COCCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C12H17FN2O2/c1-9(2)8-17-6-5-14-12(16)10-3-4-11(13)15-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyWBTHKHPAGRLQOR-UHFFFAOYSA-N
XLogP1.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.62
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-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide
CID 103855656
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 115868364
N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide
CID 63977834
N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
CID 115590077
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63978782
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631
N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide
CID 63980515

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide (CID 115627193) is 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide is CC(C)COCCNC(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is WBTHKHPAGRLQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(2)8-17-6-5-14-12(16)10-3-4-11(13)15-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide?
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 115627193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).