3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide

C20H20N8O — CID 87530745

IUPAC3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide
SMILESNC(N)=N/N=C/c1nc(-c2cccc(C(=O)NCc3ccccc3)c2)cnc1N
InChIInChI=1S/C20H20N8O/c21-18-17(12-26-28-20(22)23)27-16(11-24-18)14-7-4-8-15(9-14)19(29)25-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H2,21,24)(H,25,29)(H4,22,23,28)/b26-12+
InChIKeyOCBOGBIPBOOVFA-RPPGKUMJSA-N
MW388.44 g/mol
LogP1.26
Rot. Bonds6

About 3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide

3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide (PubChem CID 87530745) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide.

Molecular Properties

Compound Name3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide
PubChem CID87530745
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide
SMILESNC(N)=N/N=C/c1nc(-c2cccc(C(=O)NCc3ccccc3)c2)cnc1N
InChIInChI=1S/C20H20N8O/c21-18-17(12-26-28-20(22)23)27-16(11-24-18)14-7-4-8-15(9-14)19(29)25-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H2,21,24)(H,25,29)(H4,22,23,28)/b26-12+
InChIKeyOCBOGBIPBOOVFA-RPPGKUMJSA-N
XLogP1.26
TPSA157.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide 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-[5-amino-6-[[(4-cyanophenyl)hydrazinylidene]methyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68651918
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-[5-amino-6-[(Z)-N'-anilinocarbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 140507460
2-[2-[2-[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazin-2-yl]ethylidene]hydrazinyl]acetic acid
CID 68801356
3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide
CID 91486807
3-[5-amino-6-[N-(carbamohydrazonoylamino)-C-methylcarbonimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 90946975
3-[5-amino-6-[(Z)-N'-(azepan-1-yl)carbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 87530678
3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide
CID 68650987
3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68650974
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-[4-(dimethylamino)benzoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68651666
3-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]propyl N-(2-methylpropyl)carbamate
CID 90992558

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide?
The IUPAC name of 3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide (CID 87530745) is 3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide.
What is the SMILES notation for 3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide?
The canonical SMILES for 3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide is NC(N)=N/N=C/c1nc(-c2cccc(C(=O)NCc3ccccc3)c2)cnc1N.
What is the InChIKey of 3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide?
The InChIKey is OCBOGBIPBOOVFA-RPPGKUMJSA-N. The full InChI is InChI=1S/C20H20N8O/c21-18-17(12-26-28-20(22)23)27-16(11-24-18)14-7-4-8-15(9-14)19(29)25-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H2,21,24)(H,25,29)(H4,22,23,28)/b26-12+.
What are the key properties of 3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide?
3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide has a molecular weight of 388.44 g/mol, XLogP of 1.26, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide is sourced from PubChem (CID 87530745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).