2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide

C24H24F2N2O3 — CID 170763348

IUPAC2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide
SMILESCc1cc(OCC(=O)NC2CC(F)(F)C2)cc(=O)n1Cc1ccc(C#CC2CC2)cc1
InChIInChI=1S/C24H24F2N2O3/c1-16-10-21(31-15-22(29)27-20-12-24(25,26)13-20)11-23(30)28(16)14-19-8-6-18(7-9-19)5-4-17-2-3-17/h6-11,17,20H,2-3,12-15H2,1H3,(H,27,29)
InChIKeyGKJMNLDAHLNJOT-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.26
Rot. Bonds6

About 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide

2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide (PubChem CID 170763348) has the molecular formula C24H24F2N2O3 and a molecular weight of 426.46 g/mol. Its IUPAC name is 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound Name2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide
PubChem CID170763348
Molecular FormulaC24H24F2N2O3
Molecular Weight426.46 g/mol
Exact Mass426.18
IUPAC Name2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide
SMILESCc1cc(OCC(=O)NC2CC(F)(F)C2)cc(=O)n1Cc1ccc(C#CC2CC2)cc1
InChIInChI=1S/C24H24F2N2O3/c1-16-10-21(31-15-22(29)27-20-12-24(25,26)13-20)11-23(30)28(16)14-19-8-6-18(7-9-19)5-4-17-2-3-17/h6-11,17,20H,2-3,12-15H2,1H3,(H,27,29)
InChIKeyGKJMNLDAHLNJOT-UHFFFAOYSA-N
XLogP3.26
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
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 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide (CID 170763348) is 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide is Cc1cc(OCC(=O)NC2CC(F)(F)C2)cc(=O)n1Cc1ccc(C#CC2CC2)cc1.
What is the InChIKey of 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is GKJMNLDAHLNJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3/c1-16-10-21(31-15-22(29)27-20-12-24(25,26)13-20)11-23(30)28(16)14-19-8-6-18(7-9-19)5-4-17-2-3-17/h6-11,17,20H,2-3,12-15H2,1H3,(H,27,29).
What are the key properties of 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide?
2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 426.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 170763348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).