2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide

C17H20N4O — CID 51086989

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)NCCNc1cnccn1
InChIInChI=1S/C17H20N4O/c22-17(21-9-8-20-16-12-18-6-7-19-16)11-13-4-5-14-2-1-3-15(14)10-13/h4-7,10,12H,1-3,8-9,11H2,(H,19,20)(H,21,22)
InChIKeyJWBJPVRFPMXIFL-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.74
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide (PubChem CID 51086989) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
PubChem CID51086989
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)NCCNc1cnccn1
InChIInChI=1S/C17H20N4O/c22-17(21-9-8-20-16-12-18-6-7-19-16)11-13-4-5-14-2-1-3-15(14)10-13/h4-7,10,12H,1-3,8-9,11H2,(H,19,20)(H,21,22)
InChIKeyJWBJPVRFPMXIFL-UHFFFAOYSA-N
XLogP1.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide (CID 51086989) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide is O=C(Cc1ccc2c(c1)CCC2)NCCNc1cnccn1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
The InChIKey is JWBJPVRFPMXIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(21-9-8-20-16-12-18-6-7-19-16)11-13-4-5-14-2-1-3-15(14)10-13/h4-7,10,12H,1-3,8-9,11H2,(H,19,20)(H,21,22).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 51086989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).