2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile

C19H16N4 — CID 139109827

IUPAC2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile
SMILESC/C(=C/C(C)=N/c1ccccc1C#N)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H16N4/c1-14(22-18-9-7-16(12-20)8-10-18)11-15(2)23-19-6-4-3-5-17(19)13-21/h3-11,22H,1-2H3/b14-11-,23-15+
InChIKeyMQOODFDSWIFACZ-NHFKTHAYSA-N
MW300.37 g/mol
LogP4.54
Rot. Bonds4

About 2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile

2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile (PubChem CID 139109827) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile.

Molecular Properties

Compound Name2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile
PubChem CID139109827
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile
SMILESC/C(=C/C(C)=N/c1ccccc1C#N)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H16N4/c1-14(22-18-9-7-16(12-20)8-10-18)11-15(2)23-19-6-4-3-5-17(19)13-21/h3-11,22H,1-2H3/b14-11-,23-15+
InChIKeyMQOODFDSWIFACZ-NHFKTHAYSA-N
XLogP4.54
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile 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

methyl (Z)-3-(4-cyanoanilino)but-2-enoate
CID 129354001
1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
CID 139160848
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
N-(2-cyanophenyl)benzenecarboximidoyl chloride
CID 13465821
N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide
CID 58861214
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile?
The IUPAC name of 2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile (CID 139109827) is 2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile.
What is the SMILES notation for 2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile?
The canonical SMILES for 2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile is C/C(=C/C(C)=N/c1ccccc1C#N)Nc1ccc(C#N)cc1.
What is the InChIKey of 2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile?
The InChIKey is MQOODFDSWIFACZ-NHFKTHAYSA-N. The full InChI is InChI=1S/C19H16N4/c1-14(22-18-9-7-16(12-20)8-10-18)11-15(2)23-19-6-4-3-5-17(19)13-21/h3-11,22H,1-2H3/b14-11-,23-15+.
What are the key properties of 2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile?
2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile has a molecular weight of 300.37 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile is sourced from PubChem (CID 139109827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).