N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C22H23ClN4O3 — CID 30246165

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)CCC2=O)c1
InChIInChI=1S/C22H23ClN4O3/c1-15-3-2-4-17(13-15)27-21(28)8-6-18(25-27)22(29)24-19-14-16(23)5-7-20(19)26-9-11-30-12-10-26/h2-5,7,13-14H,6,8-12H2,1H3,(H,24,29)
InChIKeyFUDKRWNKZVSPLO-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.61
Rot. Bonds4

About N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 30246165) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID30246165
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)CCC2=O)c1
InChIInChI=1S/C22H23ClN4O3/c1-15-3-2-4-17(13-15)27-21(28)8-6-18(25-27)22(29)24-19-14-16(23)5-7-20(19)26-9-11-30-12-10-26/h2-5,7,13-14H,6,8-12H2,1H3,(H,24,29)
InChIKeyFUDKRWNKZVSPLO-UHFFFAOYSA-N
XLogP3.61
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18189949
1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 26955609
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47014200
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
N-[2-(dimethylcarbamoyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55613221
N-(2,4-dichlorophenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 4268456
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
1-(3-methylphenyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24505069
N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4880571
N-(4-cyanophenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26698462
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 16561882

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 30246165) is N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(N2N=C(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)CCC2=O)c1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FUDKRWNKZVSPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-15-3-2-4-17(13-15)27-21(28)8-6-18(25-27)22(29)24-19-14-16(23)5-7-20(19)26-9-11-30-12-10-26/h2-5,7,13-14H,6,8-12H2,1H3,(H,24,29).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 30246165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).