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

C20H20N4O3 — CID 53336309

IUPAC1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)CN2N=C(C(=O)Nc3ccccc3)CCC2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-14-7-9-16(10-8-14)21-18(25)13-24-19(26)12-11-17(23-24)20(27)22-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,25)(H,22,27)
InChIKeyXEFYWVHLGPPASG-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.55
Rot. Bonds5

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

1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 53336309) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID53336309
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)CN2N=C(C(=O)Nc3ccccc3)CCC2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-14-7-9-16(10-8-14)21-18(25)13-24-19(26)12-11-17(23-24)20(27)22-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,25)(H,22,27)
InChIKeyXEFYWVHLGPPASG-UHFFFAOYSA-N
XLogP2.55
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-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 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 53336309) is 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(NC(=O)CN2N=C(C(=O)Nc3ccccc3)CCC2=O)cc1.
What is the InChIKey of 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XEFYWVHLGPPASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-7-9-16(10-8-14)21-18(25)13-24-19(26)12-11-17(23-24)20(27)22-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,21,25)(H,22,27).
What are the key properties of 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-N-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 53336309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).