N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C18H22N4O — CID 38583226

IUPACN-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCCNc1cnccn1
InChIInChI=1S/C18H22N4O/c23-18(22-10-9-21-17-13-19-7-8-20-17)12-14-5-6-15-3-1-2-4-16(15)11-14/h5-8,11,13H,1-4,9-10,12H2,(H,20,21)(H,22,23)
InChIKeyZFTGLJVNTILHML-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 38583226) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID38583226
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCCNc1cnccn1
InChIInChI=1S/C18H22N4O/c23-18(22-10-9-21-17-13-19-7-8-20-17)12-14-5-6-15-3-1-2-4-16(15)11-14/h5-8,11,13H,1-4,9-10,12H2,(H,20,21)(H,22,23)
InChIKeyZFTGLJVNTILHML-UHFFFAOYSA-N
XLogP2.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)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 N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 38583226) is N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is O=C(Cc1ccc2c(c1)CCCC2)NCCNc1cnccn1.
What is the InChIKey of N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is ZFTGLJVNTILHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(22-10-9-21-17-13-19-7-8-20-17)12-14-5-6-15-3-1-2-4-16(15)11-14/h5-8,11,13H,1-4,9-10,12H2,(H,20,21)(H,22,23).
What are the key properties of N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrazin-2-ylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 38583226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).