5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide

C13H13N5O — CID 168543669

IUPAC5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(NC=C(C#N)C#N)cc1C(N)=O
InChIInChI=1S/C13H13N5O/c1-18(2)12-4-3-10(5-11(12)13(16)19)17-8-9(6-14)7-15/h3-5,8,17H,1-2H3,(H2,16,19)
InChIKeyFCSVLSWBQPYKPI-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.19
Rot. Bonds4

About 5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide

5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide (PubChem CID 168543669) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide
PubChem CID168543669
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(NC=C(C#N)C#N)cc1C(N)=O
InChIInChI=1S/C13H13N5O/c1-18(2)12-4-3-10(5-11(12)13(16)19)17-8-9(6-14)7-15/h3-5,8,17H,1-2H3,(H2,16,19)
InChIKeyFCSVLSWBQPYKPI-UHFFFAOYSA-N
XLogP1.19
TPSA105.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-2-(dimethylamino)benzoic acid
CID 169346232
5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid
CID 168511873
2-chloro-4-(2,2-dicyanoethenylamino)benzoic acid
CID 168541201
2-[4-(2,2-dicyanoethenylamino)phenyl]acetamide
CID 168545042
5-(2,2-dicyanoethenylamino)-2-nitrobenzoic acid
CID 168541449
4-[[4-(2,2-dicyanoethenylamino)benzoyl]amino]benzamide
CID 168545506
4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide
CID 2542501
4-(2,2-dicyanoethenylamino)benzoic acid
CID 168511874
2-[(3-chloro-4-iodoanilino)methylidene]propanedinitrile
CID 168541636
2-[(3-bicyclo[4.2.0]octa-1(6),2,4-trienylamino)methylidene]propanedinitrile
CID 168541781
2-[4-(2,2-dicyanoethenylamino)phenyl]-2-methylpropanoic acid
CID 168542488
2-[(4-methylsulfonylanilino)methylidene]propanedinitrile
CID 168511617

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide?
The IUPAC name of 5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide (CID 168543669) is 5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide?
The canonical SMILES for 5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide is CN(C)c1ccc(NC=C(C#N)C#N)cc1C(N)=O.
What is the InChIKey of 5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide?
The InChIKey is FCSVLSWBQPYKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18(2)12-4-3-10(5-11(12)13(16)19)17-8-9(6-14)7-15/h3-5,8,17H,1-2H3,(H2,16,19).
What are the key properties of 5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide?
5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide has a molecular weight of 255.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide is sourced from PubChem (CID 168543669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).