2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide

C15H19N3O2 — CID 71792624

IUPAC2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC#CCN1CCCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C15H19N3O2/c19-14(13-7-6-9-17-15(13)20)16-8-2-5-12-18-10-3-1-4-11-18/h6-7,9H,1,3-4,8,10-12H2,(H,16,19)(H,17,20)
InChIKeyQYCQIFBYJMOWCA-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.59
Rot. Bonds3

About 2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide

2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide (PubChem CID 71792624) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide
PubChem CID71792624
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC#CCN1CCCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C15H19N3O2/c19-14(13-7-6-9-17-15(13)20)16-8-2-5-12-18-10-3-1-4-11-18/h6-7,9H,1,3-4,8,10-12H2,(H,16,19)(H,17,20)
InChIKeyQYCQIFBYJMOWCA-UHFFFAOYSA-N
XLogP0.59
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide (CID 71792624) is 2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide is O=C(NCC#CCN1CCCCC1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide?
The InChIKey is QYCQIFBYJMOWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14(13-7-6-9-17-15(13)20)16-8-2-5-12-18-10-3-1-4-11-18/h6-7,9H,1,3-4,8,10-12H2,(H,16,19)(H,17,20).
What are the key properties of 2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71792624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).