6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile

C23H26N4O2S — CID 3853557

IUPAC6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(CN2CCC(N3C(=O)OC(c4ccccc4)C3C)CC2)ccc1C#N
InChIInChI=1S/C23H26N4O2S/c1-16-21(17-6-4-3-5-7-17)29-23(28)27(16)20-10-12-26(13-11-20)15-19-9-8-18(14-24)22(25-19)30-2/h3-9,16,20-21H,10-13,15H2,1-2H3
InChIKeyUYISKRZQQXELGB-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.22
Rot. Bonds5

About 6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile

6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 3853557) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID3853557
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(CN2CCC(N3C(=O)OC(c4ccccc4)C3C)CC2)ccc1C#N
InChIInChI=1S/C23H26N4O2S/c1-16-21(17-6-4-3-5-7-17)29-23(28)27(16)20-10-12-26(13-11-20)15-19-9-8-18(14-24)22(25-19)30-2/h3-9,16,20-21H,10-13,15H2,1-2H3
InChIKeyUYISKRZQQXELGB-UHFFFAOYSA-N
XLogP4.22
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile (CID 3853557) is 6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile is CSc1nc(CN2CCC(N3C(=O)OC(c4ccccc4)C3C)CC2)ccc1C#N.
What is the InChIKey of 6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is UYISKRZQQXELGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-21(17-6-4-3-5-7-17)29-23(28)27(16)20-10-12-26(13-11-20)15-19-9-8-18(14-24)22(25-19)30-2/h3-9,16,20-21H,10-13,15H2,1-2H3.
What are the key properties of 6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile?
6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 422.55 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 3853557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).