N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C20H20ClN3O4 — CID 55445766

IUPACN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C2=NN(C)C(=O)CC2)cc1
InChIInChI=1S/C20H20ClN3O4/c1-3-27-14-5-7-15(8-6-14)28-18-10-4-13(21)12-17(18)22-20(26)16-9-11-19(25)24(2)23-16/h4-8,10,12H,3,9,11H2,1-2H3,(H,22,26)
InChIKeyKTUQQTAHZVXZQW-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.08
Rot. Bonds6

About N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55445766) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55445766
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC NameN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C2=NN(C)C(=O)CC2)cc1
InChIInChI=1S/C20H20ClN3O4/c1-3-27-14-5-7-15(8-6-14)28-18-10-4-13(21)12-17(18)22-20(26)16-9-11-19(25)24(2)23-16/h4-8,10,12H,3,9,11H2,1-2H3,(H,22,26)
InChIKeyKTUQQTAHZVXZQW-UHFFFAOYSA-N
XLogP4.08
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-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

Related Compounds

N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 2563930
(3S)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 52577868
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47014200
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide
CID 55468975
N-[6-[(3-chlorophenoxy)methyl]pyridazin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521417
2-[3-methyl-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 119231693
N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 24676491
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 60586135
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 46690243
2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792962
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 56501680
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736273

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55445766) is N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C2=NN(C)C(=O)CC2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is KTUQQTAHZVXZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-3-27-14-5-7-15(8-6-14)28-18-10-4-13(21)12-17(18)22-20(26)16-9-11-19(25)24(2)23-16/h4-8,10,12H,3,9,11H2,1-2H3,(H,22,26).
What are the key properties of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 401.85 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55445766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).