2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide

C15H22N4O — CID 98718371

IUPAC2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
SMILESO=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCNc1cnccn1
InChIInChI=1S/C15H22N4O/c20-15(9-13-8-11-1-2-12(13)7-11)19-6-5-18-14-10-16-3-4-17-14/h3-4,10-13H,1-2,5-9H2,(H,17,18)(H,19,20)/t11-,12-,13+/m0/s1
InChIKeyNDJAYKGYEBSSIL-RWMBFGLXSA-N
MW274.37 g/mol
LogP1.83
Rot. Bonds6

About 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide (PubChem CID 98718371) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
PubChem CID98718371
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
SMILESO=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCNc1cnccn1
InChIInChI=1S/C15H22N4O/c20-15(9-13-8-11-1-2-12(13)7-11)19-6-5-18-14-10-16-3-4-17-14/h3-4,10-13H,1-2,5-9H2,(H,17,18)(H,19,20)/t11-,12-,13+/m0/s1
InChIKeyNDJAYKGYEBSSIL-RWMBFGLXSA-N
XLogP1.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide 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 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide (CID 98718371) is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide is O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCNc1cnccn1.
What is the InChIKey of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
The InChIKey is NDJAYKGYEBSSIL-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(9-13-8-11-1-2-12(13)7-11)19-6-5-18-14-10-16-3-4-17-14/h3-4,10-13H,1-2,5-9H2,(H,17,18)(H,19,20)/t11-,12-,13+/m0/s1.
What are the key properties of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide has a molecular weight of 274.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 98718371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).