2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

C24H20N2O — CID 55539689

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1cccc(C#Cc2ccccn2)c1
InChIInChI=1S/C24H20N2O/c27-24(17-19-10-12-20-6-4-7-21(20)15-19)26-23-9-3-5-18(16-23)11-13-22-8-1-2-14-25-22/h1-3,5,8-10,12,14-16H,4,6-7,17H2,(H,26,27)
InChIKeyHUOBSWWMZXVWPI-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.15
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (PubChem CID 55539689) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
PubChem CID55539689
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1cccc(C#Cc2ccccn2)c1
InChIInChI=1S/C24H20N2O/c27-24(17-19-10-12-20-6-4-7-21(20)15-19)26-23-9-3-5-18(16-23)11-13-22-8-1-2-14-25-22/h1-3,5,8-10,12,14-16H,4,6-7,17H2,(H,26,27)
InChIKeyHUOBSWWMZXVWPI-UHFFFAOYSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 46554269
2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide
CID 55824933
4-phenoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 134053013
4-phenylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 18272046
N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide
CID 25331932
2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 18283760
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 134053094
N-(2-methyl-4-pyridinyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110766895
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 56515984
2-(3-methoxyphenyl)sulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 78889053
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide
CID 55549916
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (CID 55539689) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(C#Cc2ccccn2)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The InChIKey is HUOBSWWMZXVWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c27-24(17-19-10-12-20-6-4-7-21(20)15-19)26-23-9-3-5-18(16-23)11-13-22-8-1-2-14-25-22/h1-3,5,8-10,12,14-16H,4,6-7,17H2,(H,26,27).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is sourced from PubChem (CID 55539689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).