2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide

C18H20N2O — CID 97149134

IUPAC2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILESO=C(C[C@@H]1CCc2ccccc21)NCCc1ccncc1
InChIInChI=1S/C18H20N2O/c21-18(20-12-9-14-7-10-19-11-8-14)13-16-6-5-15-3-1-2-4-17(15)16/h1-4,7-8,10-11,16H,5-6,9,12-13H2,(H,20,21)/t16-/m0/s1
InChIKeyJAVKNYKGJFOVRZ-INIZCTEOSA-N
MW280.37 g/mol
LogP2.86
Rot. Bonds5

About 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 97149134) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID97149134
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILESO=C(C[C@@H]1CCc2ccccc21)NCCc1ccncc1
InChIInChI=1S/C18H20N2O/c21-18(20-12-9-14-7-10-19-11-8-14)13-16-6-5-15-3-1-2-4-17(15)16/h1-4,7-8,10-11,16H,5-6,9,12-13H2,(H,20,21)/t16-/m0/s1
InChIKeyJAVKNYKGJFOVRZ-INIZCTEOSA-N
XLogP2.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 80572253
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 97116698
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)acetamide
CID 50966574
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 97139216
N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616906
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide
CID 86955855
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide
CID 96551201
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136737625

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide (CID 97149134) is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide is O=C(C[C@@H]1CCc2ccccc21)NCCc1ccncc1.
What is the InChIKey of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is JAVKNYKGJFOVRZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18(20-12-9-14-7-10-19-11-8-14)13-16-6-5-15-3-1-2-4-17(15)16/h1-4,7-8,10-11,16H,5-6,9,12-13H2,(H,20,21)/t16-/m0/s1.
What are the key properties of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide?
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 97149134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).