4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide

C16H16N4O — CID 63360601

IUPAC4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(Nc2ccccc2C#N)c1
InChIInChI=1S/C16H16N4O/c1-20(2)16(21)11-7-8-13(18)15(9-11)19-14-6-4-3-5-12(14)10-17/h3-9,19H,18H2,1-2H3
InChIKeyWIFAPZHHMHZUDH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.59
Rot. Bonds3

About 4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide

4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide (PubChem CID 63360601) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide
PubChem CID63360601
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(Nc2ccccc2C#N)c1
InChIInChI=1S/C16H16N4O/c1-20(2)16(21)11-7-8-13(18)15(9-11)19-14-6-4-3-5-12(14)10-17/h3-9,19H,18H2,1-2H3
InChIKeyWIFAPZHHMHZUDH-UHFFFAOYSA-N
XLogP2.59
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide
CID 63360647
4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide
CID 63361174
2-(2-amino-5-chloroanilino)benzonitrile
CID 113315594
4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide
CID 81251794
2-(2-amino-4-nitroanilino)benzonitrile
CID 62506951
4-amino-3-[2-(dimethylamino)anilino]benzoic acid
CID 106760641
2-(2-amino-4-bromo-5-fluoroanilino)benzonitrile
CID 66110305
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
4-amino-N,N-dimethyl-3-[(1-methylcyclobutyl)amino]benzamide
CID 113485307
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
CID 81440129
3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide
CID 82990211
4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide (CID 63360601) is 4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(Nc2ccccc2C#N)c1.
What is the InChIKey of 4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide?
The InChIKey is WIFAPZHHMHZUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(2)16(21)11-7-8-13(18)15(9-11)19-14-6-4-3-5-12(14)10-17/h3-9,19H,18H2,1-2H3.
What are the key properties of 4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide?
4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-cyanoanilino)-N,N-dimethylbenzamide is sourced from PubChem (CID 63360601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).