5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C11H17FN2O — CID 126793933

IUPAC5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESC=C(C)CCNC(=O)N1CCC=C(F)C1
InChIInChI=1S/C11H17FN2O/c1-9(2)5-6-13-11(15)14-7-3-4-10(12)8-14/h4H,1,3,5-8H2,2H3,(H,13,15)
InChIKeyGYEPSIMEPPZYSO-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.22
Rot. Bonds3

About 5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide

5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 126793933) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID126793933
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESC=C(C)CCNC(=O)N1CCC=C(F)C1
InChIInChI=1S/C11H17FN2O/c1-9(2)5-6-13-11(15)14-7-3-4-10(12)8-14/h4H,1,3,5-8H2,2H3,(H,13,15)
InChIKeyGYEPSIMEPPZYSO-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 126793933) is 5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide is C=C(C)CCNC(=O)N1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is GYEPSIMEPPZYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-9(2)5-6-13-11(15)14-7-3-4-10(12)8-14/h4H,1,3,5-8H2,2H3,(H,13,15).
What are the key properties of 5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 126793933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).