morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone

C18H16N2O2 — CID 45270430

IUPACmorpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C#Cc2ccccc2)nc1)N1CCOCC1
InChIInChI=1S/C18H16N2O2/c21-18(20-10-12-22-13-11-20)16-7-9-17(19-14-16)8-6-15-4-2-1-3-5-15/h1-5,7,9,14H,10-13H2
InChIKeyVIKSLSILXQPMEI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.95
Rot. Bonds1

About morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone

morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone (PubChem CID 45270430) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone
PubChem CID45270430
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namemorpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C#Cc2ccccc2)nc1)N1CCOCC1
InChIInChI=1S/C18H16N2O2/c21-18(20-10-12-22-13-11-20)16-7-9-17(19-14-16)8-6-15-4-2-1-3-5-15/h1-5,7,9,14H,10-13H2
InChIKeyVIKSLSILXQPMEI-UHFFFAOYSA-N
XLogP1.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone (CID 45270430) is morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone is O=C(c1ccc(C#Cc2ccccc2)nc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone?
The InChIKey is VIKSLSILXQPMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(20-10-12-22-13-11-20)16-7-9-17(19-14-16)8-6-15-4-2-1-3-5-15/h1-5,7,9,14H,10-13H2.
What are the key properties of morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone?
morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone has a molecular weight of 292.34 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-(2-phenylethynyl)-3-pyridinyl]methanone is sourced from PubChem (CID 45270430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).