azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone

C19H24N4O — CID 109283935

IUPACazepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
SMILESO=C(c1cnc(NCCc2ccccc2)cn1)N1CCCCCC1
InChIInChI=1S/C19H24N4O/c24-19(23-12-6-1-2-7-13-23)17-14-22-18(15-21-17)20-11-10-16-8-4-3-5-9-16/h3-5,8-9,14-15H,1-2,6-7,10-13H2,(H,20,22)
InChIKeyFORBREIDBQUOCL-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.15
Rot. Bonds5

About azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone

azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone (PubChem CID 109283935) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
PubChem CID109283935
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Nameazepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
SMILESO=C(c1cnc(NCCc2ccccc2)cn1)N1CCCCCC1
InChIInChI=1S/C19H24N4O/c24-19(23-12-6-1-2-7-13-23)17-14-22-18(15-21-17)20-11-10-16-8-4-3-5-9-16/h3-5,8-9,14-15H,1-2,6-7,10-13H2,(H,20,22)
InChIKeyFORBREIDBQUOCL-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283932
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274295
4-[5-(3-phenylpropylamino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278771
[5-(3-methylbutylamino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274331
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
azepan-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280403
[5-[2-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275036
1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279048
(4-benzylpiperazin-1-yl)-[5-[2-(dimethylamino)ethylamino]pyrazin-2-yl]methanone
CID 109277312
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279529
[5-[2-(4-methoxyphenyl)ethylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109284918

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone (CID 109283935) is azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone is O=C(c1cnc(NCCc2ccccc2)cn1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone?
The InChIKey is FORBREIDBQUOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(23-12-6-1-2-7-13-23)17-14-22-18(15-21-17)20-11-10-16-8-4-3-5-9-16/h3-5,8-9,14-15H,1-2,6-7,10-13H2,(H,20,22).
What are the key properties of azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone?
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109283935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).