5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide

C11H15FN2O — CID 126783932

IUPAC5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC#CCCNC(=O)N1CCC=C(F)C1
InChIInChI=1S/C11H15FN2O/c1-2-3-4-7-13-11(15)14-8-5-6-10(12)9-14/h6H,4-5,7-9H2,1H3,(H,13,15)
InChIKeyAOYLICHCNZSMLG-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.67
Rot. Bonds2

About 5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide

5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 126783932) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID126783932
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC#CCCNC(=O)N1CCC=C(F)C1
InChIInChI=1S/C11H15FN2O/c1-2-3-4-7-13-11(15)14-8-5-6-10(12)9-14/h6H,4-5,7-9H2,1H3,(H,13,15)
InChIKeyAOYLICHCNZSMLG-UHFFFAOYSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 126783932) is 5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide is CC#CCCNC(=O)N1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is AOYLICHCNZSMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-3-4-7-13-11(15)14-8-5-6-10(12)9-14/h6H,4-5,7-9H2,1H3,(H,13,15).
What are the key properties of 5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide?
5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 210.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-pent-3-ynyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 126783932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).