3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide

C14H15N5O — CID 169338365

IUPAC3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(NN=C(C#N)C#N)c1
InChIInChI=1S/C14H15N5O/c1-10(2)9-17-14(20)11-4-3-5-12(6-11)18-19-13(7-15)8-16/h3-6,10,18H,9H2,1-2H3,(H,17,20)
InChIKeyGEXYOVYONLMNIY-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.89
Rot. Bonds5

About 3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide

3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide (PubChem CID 169338365) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide
PubChem CID169338365
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(NN=C(C#N)C#N)c1
InChIInChI=1S/C14H15N5O/c1-10(2)9-17-14(20)11-4-3-5-12(6-11)18-19-13(7-15)8-16/h3-6,10,18H,9H2,1-2H3,(H,17,20)
InChIKeyGEXYOVYONLMNIY-UHFFFAOYSA-N
XLogP1.89
TPSA101.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(1Z)-2-amino-2-imino-N-[3-(2-methylpropylcarbamoyl)anilino]ethanimidoyl cyanide
CID 172976686
3-[2-(dicyanomethylidene)hydrazinyl]-N-(3,4-dimethylphenyl)benzamide
CID 169338246
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
N,3-bis(2-methylpropyl)benzamide
CID 176945198
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide
CID 177180681
(1Z)-2-amino-N-[3-(ethylcarbamoyl)anilino]-2-iminoethanimidoyl cyanide
CID 172976316
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide (CID 169338365) is 3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(NN=C(C#N)C#N)c1.
What is the InChIKey of 3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide?
The InChIKey is GEXYOVYONLMNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10(2)9-17-14(20)11-4-3-5-12(6-11)18-19-13(7-15)8-16/h3-6,10,18H,9H2,1-2H3,(H,17,20).
What are the key properties of 3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide?
3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide has a molecular weight of 269.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 169338365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).