1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane

C30H30N2O2S — CID 142264575

IUPAC1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane
SMILESC.CSc1ccc(Oc2ccc(-c3cc(C)c(C#N)c(=O)n3Cc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C29H26N2O2S.CH4/c1-19-5-6-23(20(2)15-19)18-31-28(16-21(3)27(17-30)29(31)32)22-7-9-24(10-8-22)33-25-11-13-26(34-4)14-12-25;/h5-16H,18H2,1-4H3;1H4
InChIKeyRNYKTRFUJUSCJG-UHFFFAOYSA-N
MW482.65 g/mol
LogP7.51
Rot. Bonds6

About 1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane

1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane (PubChem CID 142264575) has the molecular formula C30H30N2O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane
PubChem CID142264575
Molecular FormulaC30H30N2O2S
Molecular Weight482.65 g/mol
Exact Mass482.20
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane
SMILESC.CSc1ccc(Oc2ccc(-c3cc(C)c(C#N)c(=O)n3Cc3ccc(C)cc3C)cc2)cc1
InChIInChI=1S/C29H26N2O2S.CH4/c1-19-5-6-23(20(2)15-19)18-31-28(16-21(3)27(17-30)29(31)32)22-7-9-24(10-8-22)33-25-11-13-26(34-4)14-12-25;/h5-16H,18H2,1-4H3;1H4
InChIKeyRNYKTRFUJUSCJG-UHFFFAOYSA-N
XLogP7.51
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,4-dimethylphenyl)methyl]-6-[4-(hydroxymethyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 142264542
1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(N-methylanilino)phenyl]-2-oxopyridine-3-carbonitrile
CID 142264568
1-[(2,4-dimethylphenyl)methyl]-2-oxo-6-[4-(4-phenylphenoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67339496
1-[(2,4-dimethylphenyl)methyl]-2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-6-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 87361857
1-[(2,4-dimethylphenyl)methyl]-6-[4-(4-hydroxy-3-methylphenoxy)phenyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67338790
1-[(2,4-dimethylphenyl)methyl]-6-(4-methylphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67340602
1-[(2,4-dimethylphenyl)methyl]-6-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 10311824
1-[(2,4-dimethylphenyl)methyl]-6-[4-[(2-formyl-1H-indol-5-yl)oxy]phenyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 143213596
6-(4-chlorophenyl)-1-[(2,4-dimethylphenyl)methyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 10287813
1-[(2,4-dimethylphenyl)methyl]-6-[4-[(2-formyl-1H-indol-5-yl)oxy]phenyl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile;N-methylmethanamine
CID 143213595
N-benzyl-3-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenoxy]benzamide
CID 11570766
ethyl (E)-3-[2-amino-4-[4-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenoxy]phenyl]prop-2-enoate
CID 143195239

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane (CID 142264575) is 1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane is C.CSc1ccc(Oc2ccc(-c3cc(C)c(C#N)c(=O)n3Cc3ccc(C)cc3C)cc2)cc1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane?
The InChIKey is RNYKTRFUJUSCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2S.CH4/c1-19-5-6-23(20(2)15-19)18-31-28(16-21(3)27(17-30)29(31)32)22-7-9-24(10-8-22)33-25-11-13-26(34-4)14-12-25;/h5-16H,18H2,1-4H3;1H4.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane?
1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane has a molecular weight of 482.65 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-4-methyl-6-[4-(4-methylsulfanylphenoxy)phenyl]-2-oxopyridine-3-carbonitrile;methane is sourced from PubChem (CID 142264575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).