N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C22H26N4O2 — CID 112766031

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(CCNC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1cccc(C)c1
InChIInChI=1S/C22H26N4O2/c1-3-25(19-11-7-8-17(2)16-19)15-14-23-22(28)20-12-13-21(27)26(24-20)18-9-5-4-6-10-18/h4-11,16H,3,12-15H2,1-2H3,(H,23,28)
InChIKeyFZBZLEUAFCLWHN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.12
Rot. Bonds7

About N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 112766031) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID112766031
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(CCNC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1cccc(C)c1
InChIInChI=1S/C22H26N4O2/c1-3-25(19-11-7-8-17(2)16-19)15-14-23-22(28)20-12-13-21(27)26(24-20)18-9-5-4-6-10-18/h4-11,16H,3,12-15H2,1-2H3,(H,23,28)
InChIKeyFZBZLEUAFCLWHN-UHFFFAOYSA-N
XLogP3.12
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-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-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 112766031) is N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is CCN(CCNC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FZBZLEUAFCLWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-25(19-11-7-8-17(2)16-19)15-14-23-22(28)20-12-13-21(27)26(24-20)18-9-5-4-6-10-18/h4-11,16H,3,12-15H2,1-2H3,(H,23,28).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 112766031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).