2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide

C15H13N3O — CID 71325215

IUPAC2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide
SMILESN#CC1=C(C(=O)Nc2ccc(C#N)cc2)CCCC1
InChIInChI=1S/C15H13N3O/c16-9-11-5-7-13(8-6-11)18-15(19)14-4-2-1-3-12(14)10-17/h5-8H,1-4H2,(H,18,19)
InChIKeyUHYOWDBXVVYGRJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.89
Rot. Bonds2

About 2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide

2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide (PubChem CID 71325215) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide
PubChem CID71325215
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide
SMILESN#CC1=C(C(=O)Nc2ccc(C#N)cc2)CCCC1
InChIInChI=1S/C15H13N3O/c16-9-11-5-7-13(8-6-11)18-15(19)14-4-2-1-3-12(14)10-17/h5-8H,1-4H2,(H,18,19)
InChIKeyUHYOWDBXVVYGRJ-UHFFFAOYSA-N
XLogP2.89
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide 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

N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide
CID 71325211
1-[(4-cyanophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55035312
1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095222
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
4-cyano-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 121005559
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8015151

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide?
The IUPAC name of 2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide (CID 71325215) is 2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide.
What is the SMILES notation for 2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide?
The canonical SMILES for 2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide is N#CC1=C(C(=O)Nc2ccc(C#N)cc2)CCCC1.
What is the InChIKey of 2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide?
The InChIKey is UHYOWDBXVVYGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-9-11-5-7-13(8-6-11)18-15(19)14-4-2-1-3-12(14)10-17/h5-8H,1-4H2,(H,18,19).
What are the key properties of 2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide?
2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-cyanophenyl)cyclohexene-1-carboxamide is sourced from PubChem (CID 71325215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).