6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one

C19H18N2O2 — CID 53494832

IUPAC6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one
SMILESCC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1
InChIInChI=1S/C19H18N2O2/c1-19(2)14-21(18(22)13-23-19)17-11-10-16(12-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-12H,13-14H2,1-2H3
InChIKeyOXFJFOLEFXYRTF-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.62
Rot. Bonds1

About 6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one

6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one (PubChem CID 53494832) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Name6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one
PubChem CID53494832
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one
SMILESCC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1
InChIInChI=1S/C19H18N2O2/c1-19(2)14-21(18(22)13-23-19)17-11-10-16(12-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-12H,13-14H2,1-2H3
InChIKeyOXFJFOLEFXYRTF-UHFFFAOYSA-N
XLogP2.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one 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 6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one?
The IUPAC name of 6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one (CID 53494832) is 6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one.
What is the SMILES notation for 6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one?
The canonical SMILES for 6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one is CC1(C)CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)CO1.
What is the InChIKey of 6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one?
The InChIKey is OXFJFOLEFXYRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-19(2)14-21(18(22)13-23-19)17-11-10-16(12-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-12H,13-14H2,1-2H3.
What are the key properties of 6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one?
6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one has a molecular weight of 306.37 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one is sourced from PubChem (CID 53494832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).