1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one

C23H24N4O4S — CID 69080925

IUPAC1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one
SMILESCc1ccc(Nc2ccc(Oc3ccc(S(C)(=O)=O)nc3)c(CN3CCCC3=O)c2)nc1
InChIInChI=1S/C23H24N4O4S/c1-16-5-9-21(24-13-16)26-18-6-8-20(17(12-18)15-27-11-3-4-23(27)28)31-19-7-10-22(25-14-19)32(2,29)30/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,24,26)
InChIKeyLRLIZXVXQXACEY-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.85
Rot. Bonds7

About 1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one

1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one (PubChem CID 69080925) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one
PubChem CID69080925
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one
SMILESCc1ccc(Nc2ccc(Oc3ccc(S(C)(=O)=O)nc3)c(CN3CCCC3=O)c2)nc1
InChIInChI=1S/C23H24N4O4S/c1-16-5-9-21(24-13-16)26-18-6-8-20(17(12-18)15-27-11-3-4-23(27)28)31-19-7-10-22(25-14-19)32(2,29)30/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,24,26)
InChIKeyLRLIZXVXQXACEY-UHFFFAOYSA-N
XLogP3.85
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one (CID 69080925) is 1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one is Cc1ccc(Nc2ccc(Oc3ccc(S(C)(=O)=O)nc3)c(CN3CCCC3=O)c2)nc1.
What is the InChIKey of 1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is LRLIZXVXQXACEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-16-5-9-21(24-13-16)26-18-6-8-20(17(12-18)15-27-11-3-4-23(27)28)31-19-7-10-22(25-14-19)32(2,29)30/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,24,26).
What are the key properties of 1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one?
1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 452.54 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(5-methyl-2-pyridinyl)amino]-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 69080925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).