N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide

C17H15N5O — CID 168609092

IUPACN-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide
SMILESN#CC(C#N)=C(C#N)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H15N5O/c18-9-13(10-19)16(11-20)21-15-7-5-12(6-8-15)17(23)22-14-3-1-2-4-14/h5-8,14,21H,1-4H2,(H,22,23)
InChIKeyPJUMHCRTXVSUJE-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.60
Rot. Bonds4

About N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide

N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide (PubChem CID 168609092) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide
PubChem CID168609092
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide
SMILESN#CC(C#N)=C(C#N)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H15N5O/c18-9-13(10-19)16(11-20)21-15-7-5-12(6-8-15)17(23)22-14-3-1-2-4-14/h5-8,14,21H,1-4H2,(H,22,23)
InChIKeyPJUMHCRTXVSUJE-UHFFFAOYSA-N
XLogP2.60
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide 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

4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-methyl-4-(1,2,2-tricyanoethenylamino)benzamide
CID 168610772
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide?
The IUPAC name of N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide (CID 168609092) is N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide.
What is the SMILES notation for N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide?
The canonical SMILES for N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide is N#CC(C#N)=C(C#N)Nc1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide?
The InChIKey is PJUMHCRTXVSUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-9-13(10-19)16(11-20)21-15-7-5-12(6-8-15)17(23)22-14-3-1-2-4-14/h5-8,14,21H,1-4H2,(H,22,23).
What are the key properties of N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide?
N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide has a molecular weight of 305.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(1,2,2-tricyanoethenylamino)benzamide is sourced from PubChem (CID 168609092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).