2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide

C11H14N4O — CID 61296173

IUPAC2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(N)cc1C#N
InChIInChI=1S/C11H14N4O/c1-15(2)11(16)7-14-10-4-3-9(13)5-8(10)6-12/h3-5,14H,7,13H2,1-2H3
InChIKeyJBKYUJUJFVKWLN-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.64
Rot. Bonds3

About 2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide

2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide (PubChem CID 61296173) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide
PubChem CID61296173
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(N)cc1C#N
InChIInChI=1S/C11H14N4O/c1-15(2)11(16)7-14-10-4-3-9(13)5-8(10)6-12/h3-5,14H,7,13H2,1-2H3
InChIKeyJBKYUJUJFVKWLN-UHFFFAOYSA-N
XLogP0.64
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide 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-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide
CID 62492640
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid
CID 54888315
methyl 3-(4-amino-2-cyanoanilino)propanoate
CID 61295014
2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide
CID 60929299
2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide
CID 61296548
5-amino-2-(2,2-dimethylpropylamino)benzonitrile
CID 61296921
5-amino-2-(2-hydroxyethylamino)benzonitrile
CID 15827829
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
5-amino-2-[(2,3-dihydroxy-2-methylpropyl)amino]benzonitrile
CID 66168200
N-(4-amino-2-cyanophenyl)-2-ethoxyacetamide
CID 43548887
5-amino-2-(2,2,2-trifluoroethylamino)benzonitrile
CID 61295779
2-(4-bromo-2-cyanoanilino)acetamide
CID 58118512

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide (CID 61296173) is 2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide is CN(C)C(=O)CNc1ccc(N)cc1C#N.
What is the InChIKey of 2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide?
The InChIKey is JBKYUJUJFVKWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(2)11(16)7-14-10-4-3-9(13)5-8(10)6-12/h3-5,14H,7,13H2,1-2H3.
What are the key properties of 2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide?
2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide has a molecular weight of 218.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 61296173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).