1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one

C18H22N4O — CID 133490165

IUPAC1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCc1cc(NCc2ccc(CN3CCCC3=O)cc2)nnc1C
InChIInChI=1S/C18H22N4O/c1-13-10-17(21-20-14(13)2)19-11-15-5-7-16(8-6-15)12-22-9-3-4-18(22)23/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,19,21)
InChIKeyFNTSYAQXFLBABY-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.83
Rot. Bonds5

About 1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one

1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 133490165) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID133490165
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCc1cc(NCc2ccc(CN3CCCC3=O)cc2)nnc1C
InChIInChI=1S/C18H22N4O/c1-13-10-17(21-20-14(13)2)19-11-15-5-7-16(8-6-15)12-22-9-3-4-18(22)23/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,19,21)
InChIKeyFNTSYAQXFLBABY-UHFFFAOYSA-N
XLogP2.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one 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

3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359
1-[[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133351782
1-tert-butyl-3,5-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-sulfonamide
CID 86937122
2-methyl-1-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110917873
1-(2,4-dimethylphenyl)-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]thiourea
CID 100710403
4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 53278552
1-(4-bromo-3-methylphenyl)-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]thiourea
CID 100710673
1-[[4-[(diethylsulfamoylamino)methyl]phenyl]methyl]-2-oxopyrrolidine
CID 87033069
2-methyl-1-[(4-methylphenyl)methyl]-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111245312
1-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 146669613
4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 99580883
1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
CID 157436234

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one (CID 133490165) is 1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one is Cc1cc(NCc2ccc(CN3CCCC3=O)cc2)nnc1C.
What is the InChIKey of 1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is FNTSYAQXFLBABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-10-17(21-20-14(13)2)19-11-15-5-7-16(8-6-15)12-22-9-3-4-18(22)23/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,19,21).
What are the key properties of 1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[(5,6-dimethylpyridazin-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 133490165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).