1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one

C23H24N4O5S — CID 90253135

IUPAC1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(Nc2ccc(Oc3ccc(S(C)(=O)=O)nc3)c(CN3CCCC3=O)n2)cc1
InChIInChI=1S/C23H24N4O5S/c1-31-17-7-5-16(6-8-17)25-21-11-10-20(19(26-21)15-27-13-3-4-23(27)28)32-18-9-12-22(24-14-18)33(2,29)30/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,26)
InChIKeyGUBDRTNEZKSHJP-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.55
Rot. Bonds8

About 1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one

1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 90253135) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID90253135
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(Nc2ccc(Oc3ccc(S(C)(=O)=O)nc3)c(CN3CCCC3=O)n2)cc1
InChIInChI=1S/C23H24N4O5S/c1-31-17-7-5-16(6-8-17)25-21-11-10-20(19(26-21)15-27-13-3-4-23(27)28)32-18-9-12-22(24-14-18)33(2,29)30/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,26)
InChIKeyGUBDRTNEZKSHJP-UHFFFAOYSA-N
XLogP3.55
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[[2-[(6-Methylsulfonyl-3-pyridinyl)oxy]-5-[(5-methyl-1,3-thiazol-2-yl)amino]phenyl]methyl]pyrrolidin-2-one
CID 87687580
4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 68943393
1-[[2-(6-Morpholin-4-ylsulfonylpyridin-3-yl)oxy-5-[[5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]methyl]pyrrolidin-2-one
CID 69082543
1-[[2-(6-Methylsulfonylpyridin-3-yl)oxy-5-[[5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]methyl]pyrrolidin-2-one
CID 69085255
4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N-[2-(3-fluoropyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 77577138
1-[[2-[(6-Methylsulfinyl-3-pyridinyl)oxy]-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methyl]pyrrolidin-2-one
CID 130342894
4-methoxy-N-(4-(3-oxo-3-(4-(pyridin-2-yl)piperazin-1-yl)propyl)thiazol-2-yl)benzenesulfonamide
CID 27376841
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117083775
1-[6-[[3-Methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 11639223
1-(4-Methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone
CID 16661005
3-(4-Ethoxyphenyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-1-(pyridin-2-ylmethyl)urea
CID 18344810
3-(4-Ethoxyphenyl)-1-methyl-1-[4-methyl-5-(pyridin-2-ylmethylsulfamoyl)-1,3-thiazol-2-yl]urea
CID 18344822

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one (CID 90253135) is 1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one is COc1ccc(Nc2ccc(Oc3ccc(S(C)(=O)=O)nc3)c(CN3CCCC3=O)n2)cc1.
What is the InChIKey of 1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is GUBDRTNEZKSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-31-17-7-5-16(6-8-17)25-21-11-10-20(19(26-21)15-27-13-3-4-23(27)28)32-18-9-12-22(24-14-18)33(2,29)30/h5-12,14H,3-4,13,15H2,1-2H3,(H,25,26).
What are the key properties of 1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one?
1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 468.54 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-methoxyanilino)-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 90253135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).