N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C23H24N6O2 — CID 122321958

IUPACN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)c1
InChIInChI=1S/C23H24N6O2/c1-28(2)20-13-21(27-24-14-20)25-17-8-10-18(11-9-17)26-23(31)16-12-22(30)29(15-16)19-6-4-3-5-7-19/h3-11,13-14,16H,12,15H2,1-2H3,(H,25,27)(H,26,31)
InChIKeyCJDKIMAKECWASE-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.28
Rot. Bonds6

About N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 122321958) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID122321958
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)c1
InChIInChI=1S/C23H24N6O2/c1-28(2)20-13-21(27-24-14-20)25-17-8-10-18(11-9-17)26-23(31)16-12-22(30)29(15-16)19-6-4-3-5-7-19/h3-11,13-14,16H,12,15H2,1-2H3,(H,25,27)(H,26,31)
InChIKeyCJDKIMAKECWASE-UHFFFAOYSA-N
XLogP3.28
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
1-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191199
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122296373
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122316771
(3S)-1-(4-bromophenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7207517
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122296328
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122297350
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 122321958) is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CN(C)c1cnnc(Nc2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)c1.
What is the InChIKey of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is CJDKIMAKECWASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28(2)20-13-21(27-24-14-20)25-17-8-10-18(11-9-17)26-23(31)16-12-22(30)29(15-16)19-6-4-3-5-7-19/h3-11,13-14,16H,12,15H2,1-2H3,(H,25,27)(H,26,31).
What are the key properties of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 122321958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).