2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide

C11H12N4O — CID 15500431

IUPAC2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
SMILESCN(C)c1ccc(/N=C(\C#N)C(N)=O)cc1
InChIInChI=1S/C11H12N4O/c1-15(2)9-5-3-8(4-6-9)14-10(7-12)11(13)16/h3-6H,1-2H3,(H2,13,16)/b14-10+
InChIKeyHUUYNHUTDJWCHQ-GXDHUFHOSA-N
MW216.24 g/mol
LogP0.83
Rot. Bonds3

About 2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide

2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide (PubChem CID 15500431) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
PubChem CID15500431
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
SMILESCN(C)c1ccc(/N=C(\C#N)C(N)=O)cc1
InChIInChI=1S/C11H12N4O/c1-15(2)9-5-3-8(4-6-9)14-10(7-12)11(13)16/h3-6H,1-2H3,(H2,13,16)/b14-10+
InChIKeyHUUYNHUTDJWCHQ-GXDHUFHOSA-N
XLogP0.83
TPSA82.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide 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-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 15500432
N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide
CID 175672875
2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 134103507
N'-[4-(dimethylamino)phenyl]ethanimidamide;dihydrobromide
CID 45261151
2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride
CID 52944141
2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide
CID 134101124
(Z)-2-cyano-3-[4-(dimethylamino)phenyl]-3-methoxyprop-2-enamide
CID 102005389
N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide
CID 101125185
2-cyano-3-[4-(dimethylamino)phenyl]propanamide
CID 3145868
(1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten
CID 162779951
(Z)-N-carbamoyl-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 126256705
(Z)-3-[2-chloro-4-(dimethylamino)phenyl]-2-cyanoprop-2-enamide
CID 6929763

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide?
The IUPAC name of 2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide (CID 15500431) is 2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide is CN(C)c1ccc(/N=C(\C#N)C(N)=O)cc1.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide?
The InChIKey is HUUYNHUTDJWCHQ-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15(2)9-5-3-8(4-6-9)14-10(7-12)11(13)16/h3-6H,1-2H3,(H2,13,16)/b14-10+.
What are the key properties of 2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide?
2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide has a molecular weight of 216.24 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 15500431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).