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

C14H17N3O3 — CID 71792673

IUPACN-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC#CCN1CCOCC1)c1ccc[nH]c1=O
InChIInChI=1S/C14H17N3O3/c18-13(12-4-3-6-16-14(12)19)15-5-1-2-7-17-8-10-20-11-9-17/h3-4,6H,5,7-11H2,(H,15,18)(H,16,19)
InChIKeyQSCNGGWDLWOGOU-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.56
Rot. Bonds3

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

N-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71792673) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71792673
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC#CCN1CCOCC1)c1ccc[nH]c1=O
InChIInChI=1S/C14H17N3O3/c18-13(12-4-3-6-16-14(12)19)15-5-1-2-7-17-8-10-20-11-9-17/h3-4,6H,5,7-11H2,(H,15,18)(H,16,19)
InChIKeyQSCNGGWDLWOGOU-UHFFFAOYSA-N
XLogP-0.56
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide (CID 71792673) is N-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide is O=C(NCC#CCN1CCOCC1)c1ccc[nH]c1=O.
What is the InChIKey of N-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QSCNGGWDLWOGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13(12-4-3-6-16-14(12)19)15-5-1-2-7-17-8-10-20-11-9-17/h3-4,6H,5,7-11H2,(H,15,18)(H,16,19).
What are the key properties of N-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbut-2-ynyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71792673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).