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

C20H26N6O2 — CID 122320784

IUPACN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCNc3cc(N(C)C)cnn3)CC2=O)cc1
InChIInChI=1S/C20H26N6O2/c1-14-4-6-16(7-5-14)26-13-15(10-19(26)27)20(28)22-9-8-21-18-11-17(25(2)3)12-23-24-18/h4-7,11-12,15H,8-10,13H2,1-3H3,(H,21,24)(H,22,28)
InChIKeyVCPOQIWFELSKLB-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.43
Rot. Bonds7

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

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 122320784) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID122320784
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCNc3cc(N(C)C)cnn3)CC2=O)cc1
InChIInChI=1S/C20H26N6O2/c1-14-4-6-16(7-5-14)26-13-15(10-19(26)27)20(28)22-9-8-21-18-11-17(25(2)3)12-23-24-18/h4-7,11-12,15H,8-10,13H2,1-3H3,(H,21,24)(H,22,28)
InChIKeyVCPOQIWFELSKLB-UHFFFAOYSA-N
XLogP1.43
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122321567
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122326458
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122321958
1-(4-fluorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122326857
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
1-(3,4-dimethylphenyl)-5-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyrrolidine-3-carboxamide
CID 122307370
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
2-[2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242612
6-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 108793604
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122325404
1-(3,4-dimethylphenyl)-5-oxo-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyrrolidine-3-carboxamide
CID 122323757

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 122320784) is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCCNc3cc(N(C)C)cnn3)CC2=O)cc1.
What is the InChIKey of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VCPOQIWFELSKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14-4-6-16(7-5-14)26-13-15(10-19(26)27)20(28)22-9-8-21-18-11-17(25(2)3)12-23-24-18/h4-7,11-12,15H,8-10,13H2,1-3H3,(H,21,24)(H,22,28).
What are the key properties of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122320784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).