5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide

C21H22N6O2 — CID 24783100

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CNC(=O)NC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C21H22N6O2/c22-9-16-12-23-19(26-16)20(28)27-18-7-6-14(15-10-24-21(29)25-11-15)8-17(18)13-4-2-1-3-5-13/h4,6-8,12,15H,1-3,5,10-11H2,(H,23,26)(H,27,28)(H2,24,25,29)
InChIKeyZQYZMMAMCNNEQG-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.89
Rot. Bonds4

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24783100) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID24783100
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CNC(=O)NC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C21H22N6O2/c22-9-16-12-23-19(26-16)20(28)27-18-7-6-14(15-10-24-21(29)25-11-15)8-17(18)13-4-2-1-3-5-13/h4,6-8,12,15H,1-3,5,10-11H2,(H,23,26)(H,27,28)(H2,24,25,29)
InChIKeyZQYZMMAMCNNEQG-UHFFFAOYSA-N
XLogP2.89
TPSA122.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide (CID 24783100) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CNC(=O)NC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is ZQYZMMAMCNNEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c22-9-16-12-23-19(26-16)20(28)27-18-7-6-14(15-10-24-21(29)25-11-15)8-17(18)13-4-2-1-3-5-13/h4,6-8,12,15H,1-3,5,10-11H2,(H,23,26)(H,27,28)(H2,24,25,29).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24783100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).