N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide

C21H20N4O — CID 166633918

IUPACN-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(/C=C/c2ccccc2NC(=O)c2cccnn2)cc1
InChIInChI=1S/C21H20N4O/c1-25(2)18-13-10-16(11-14-18)9-12-17-6-3-4-7-19(17)23-21(26)20-8-5-15-22-24-20/h3-15H,1-2H3,(H,23,26)/b12-9+
InChIKeyBBAKBLZYYOLQCS-FMIVXFBMSA-N
MW344.42 g/mol
LogP3.97
Rot. Bonds5

About N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide

N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide (PubChem CID 166633918) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide
PubChem CID166633918
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(/C=C/c2ccccc2NC(=O)c2cccnn2)cc1
InChIInChI=1S/C21H20N4O/c1-25(2)18-13-10-16(11-14-18)9-12-17-6-3-4-7-19(17)23-21(26)20-8-5-15-22-24-20/h3-15H,1-2H3,(H,23,26)/b12-9+
InChIKeyBBAKBLZYYOLQCS-FMIVXFBMSA-N
XLogP3.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-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 N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide (CID 166633918) is N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide is CN(C)c1ccc(/C=C/c2ccccc2NC(=O)c2cccnn2)cc1.
What is the InChIKey of N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide?
The InChIKey is BBAKBLZYYOLQCS-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H20N4O/c1-25(2)18-13-10-16(11-14-18)9-12-17-6-3-4-7-19(17)23-21(26)20-8-5-15-22-24-20/h3-15H,1-2H3,(H,23,26)/b12-9+.
What are the key properties of N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide?
N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 166633918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).