3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide

C21H22N6O — CID 91486807

IUPAC3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide
SMILESC/N=N/C(C)c1nc(-c2cccc(C(=O)NCc3ccccc3)c2)cnc1N
InChIInChI=1S/C21H22N6O/c1-14(27-23-2)19-20(22)24-13-18(26-19)16-9-6-10-17(11-16)21(28)25-12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H2,22,24)(H,25,28)/b27-23+
InChIKeyXKGFZDCLVNFMRR-SLEBQGDGSA-N
MW374.45 g/mol
LogP3.80
Rot. Bonds6

About 3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide

3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide (PubChem CID 91486807) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide.

Molecular Properties

Compound Name3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide
PubChem CID91486807
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide
SMILESC/N=N/C(C)c1nc(-c2cccc(C(=O)NCc3ccccc3)c2)cnc1N
InChIInChI=1S/C21H22N6O/c1-14(27-23-2)19-20(22)24-13-18(26-19)16-9-6-10-17(11-16)21(28)25-12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H2,22,24)(H,25,28)/b27-23+
InChIKeyXKGFZDCLVNFMRR-SLEBQGDGSA-N
XLogP3.80
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-[5-amino-6-[N-(carbamohydrazonoylamino)-C-methylcarbonimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 90946975
3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide
CID 87530745
3-[5-amino-6-[(Z)-N'-anilinocarbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 140507460
3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68650974
3-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]propyl N-(2-methylpropyl)carbamate
CID 90992558
3-[5-amino-6-[4-(dimethylamino)benzoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68651666
3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide
CID 68650987
2-[2-[2-[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazin-2-yl]ethylidene]hydrazinyl]acetic acid
CID 68801356
3-amino-N-[2-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]cyclohexyl]-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68650751
3-[5-amino-6-[(Z)-N'-(azepan-1-yl)carbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 87530678
3-amino-6-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651456

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide?
The IUPAC name of 3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide (CID 91486807) is 3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide.
What is the SMILES notation for 3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide?
The canonical SMILES for 3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide is C/N=N/C(C)c1nc(-c2cccc(C(=O)NCc3ccccc3)c2)cnc1N.
What is the InChIKey of 3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide?
The InChIKey is XKGFZDCLVNFMRR-SLEBQGDGSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14(27-23-2)19-20(22)24-13-18(26-19)16-9-6-10-17(11-16)21(28)25-12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H2,22,24)(H,25,28)/b27-23+.
What are the key properties of 3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide?
3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide has a molecular weight of 374.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide is sourced from PubChem (CID 91486807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).