1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide

C22H28N6O3 — CID 122321567

IUPAC1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCNc3cc(N4CCOCC4)cnn3)CC2=O)cc1
InChIInChI=1S/C22H28N6O3/c1-16-2-4-18(5-3-16)28-15-17(12-21(28)29)22(30)24-7-6-23-20-13-19(14-25-26-20)27-8-10-31-11-9-27/h2-5,13-14,17H,6-12,15H2,1H3,(H,23,26)(H,24,30)
InChIKeyFQMPEJZLSUCRAY-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.20
Rot. Bonds7

About 1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122321567) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID122321567
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCNc3cc(N4CCOCC4)cnn3)CC2=O)cc1
InChIInChI=1S/C22H28N6O3/c1-16-2-4-18(5-3-16)28-15-17(12-21(28)29)22(30)24-7-6-23-20-13-19(14-25-26-20)27-8-10-31-11-9-27/h2-5,13-14,17H,6-12,15H2,1H3,(H,23,26)(H,24,30)
InChIKeyFQMPEJZLSUCRAY-UHFFFAOYSA-N
XLogP1.20
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122320784
1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122295155
1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122326458
(3S)-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97070411
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-fluorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122326857
2-(2-methylphenoxy)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321557
1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 16901918
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55609929
1-(4-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122314700
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-6-oxopyran-3-carboxamide
CID 122321526
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 122321567) is 1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCCNc3cc(N4CCOCC4)cnn3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FQMPEJZLSUCRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-16-2-4-18(5-3-16)28-15-17(12-21(28)29)22(30)24-7-6-23-20-13-19(14-25-26-20)27-8-10-31-11-9-27/h2-5,13-14,17H,6-12,15H2,1H3,(H,23,26)(H,24,30).
What are the key properties of 1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122321567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).