4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide

C16H13N7O — CID 166903236

IUPAC4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide
SMILESCc1cncc(NC(=O)c2ccc(NN=C(C#N)C#N)cc2C)n1
InChIInChI=1S/C16H13N7O/c1-10-5-12(22-23-13(6-17)7-18)3-4-14(10)16(24)21-15-9-19-8-11(2)20-15/h3-5,8-9,22H,1-2H3,(H,20,21,24)
InChIKeyRYIUVISRJVGUAH-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.16
Rot. Bonds4

About 4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide

4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide (PubChem CID 166903236) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is 4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide.

Molecular Properties

Compound Name4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide
PubChem CID166903236
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide
SMILESCc1cncc(NC(=O)c2ccc(NN=C(C#N)C#N)cc2C)n1
InChIInChI=1S/C16H13N7O/c1-10-5-12(22-23-13(6-17)7-18)3-4-14(10)16(24)21-15-9-19-8-11(2)20-15/h3-5,8-9,22H,1-2H3,(H,20,21,24)
InChIKeyRYIUVISRJVGUAH-UHFFFAOYSA-N
XLogP2.16
TPSA126.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide 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-[2-(dicyanomethylidene)hydrazinyl]-N-(3,4-dimethylphenyl)benzamide
CID 169338246
N-[5-[2-(dicyanomethylidene)hydrazinyl]-2-pyridinyl]-1,3-oxazole-5-carboxamide
CID 166903339
N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 166903288
N-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzamide
CID 104820032
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336
2-[[3-(dimethylamino)-4-methylphenyl]hydrazinylidene]propanedinitrile
CID 169340067
4-hydrazinyl-2-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 107586747
2-chloro-5-[2-(dicyanomethylidene)hydrazinyl]-N,N-dimethylbenzamide
CID 169338231
N-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxamide
CID 118062540
2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile
CID 169337979
2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589959
3-(methylamino)-N-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxamide
CID 71110474

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide?
The IUPAC name of 4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide (CID 166903236) is 4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide.
What is the SMILES notation for 4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide?
The canonical SMILES for 4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide is Cc1cncc(NC(=O)c2ccc(NN=C(C#N)C#N)cc2C)n1.
What is the InChIKey of 4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide?
The InChIKey is RYIUVISRJVGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c1-10-5-12(22-23-13(6-17)7-18)3-4-14(10)16(24)21-15-9-19-8-11(2)20-15/h3-5,8-9,22H,1-2H3,(H,20,21,24).
What are the key properties of 4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide?
4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide has a molecular weight of 319.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dicyanomethylidene)hydrazinyl]-2-methyl-N-(6-methylpyrazin-2-yl)benzamide is sourced from PubChem (CID 166903236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).