N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide

C13H13N5O3 — CID 169338288

IUPACN-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OC)cc1NN=C(C#N)C#N
InChIInChI=1S/C13H13N5O3/c1-20-8-13(19)16-11-4-3-10(21-2)5-12(11)18-17-9(6-14)7-15/h3-5,18H,8H2,1-2H3,(H,16,19)
InChIKeyHYGHHHVLYHTQPC-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.10
Rot. Bonds6

About N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide

N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide (PubChem CID 169338288) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide
PubChem CID169338288
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC NameN-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OC)cc1NN=C(C#N)C#N
InChIInChI=1S/C13H13N5O3/c1-20-8-13(19)16-11-4-3-10(21-2)5-12(11)18-17-9(6-14)7-15/h3-5,18H,8H2,1-2H3,(H,16,19)
InChIKeyHYGHHHVLYHTQPC-UHFFFAOYSA-N
XLogP1.10
TPSA119.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.10
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 N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide 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

2-cyano-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 168520794
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337574
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid
CID 169341790
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168637210
2-(2,4-difluorophenyl)-N-[5-methoxy-2-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131889857
N-[2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168602319
N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168579680
N-[4-chloro-2-(2,2-dicyanoethenylamino)phenyl]-2-methoxyacetamide
CID 168544425
2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341784
2-[(4-bromo-2-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341937

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide (CID 169338288) is N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(OC)cc1NN=C(C#N)C#N.
What is the InChIKey of N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide?
The InChIKey is HYGHHHVLYHTQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-20-8-13(19)16-11-4-3-10(21-2)5-12(11)18-17-9(6-14)7-15/h3-5,18H,8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide?
N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide has a molecular weight of 287.28 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide is sourced from PubChem (CID 169338288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).