6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile

C17H18N2O3S — CID 11151661

IUPAC6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc(C(OC)OC)cc(SC)c2C#N)cc1
InChIInChI=1S/C17H18N2O3S/c1-20-12-7-5-11(6-8-12)16-13(10-18)15(23-4)9-14(19-16)17(21-2)22-3/h5-9,17H,1-4H3
InChIKeyFMQLTKZUCJTAEB-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.64
Rot. Bonds6

About 6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile

6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile (PubChem CID 11151661) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile
PubChem CID11151661
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc(C(OC)OC)cc(SC)c2C#N)cc1
InChIInChI=1S/C17H18N2O3S/c1-20-12-7-5-11(6-8-12)16-13(10-18)15(23-4)9-14(19-16)17(21-2)22-3/h5-9,17H,1-4H3
InChIKeyFMQLTKZUCJTAEB-UHFFFAOYSA-N
XLogP3.64
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135483264
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile
CID 13472608
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
CID 1488060
4-(2,5-dimethoxyanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 20997615
3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine
CID 18760018
2,6-difluoro-4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]benzonitrile
CID 59698412
4-(4-methoxyphenyl)-1-methyl-2-[(2E)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-6-oxopyrimidine-5-carbonitrile
CID 10669012
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
4-(4-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 20997571
4-(3-methoxyanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 7718759

Frequently Asked Questions

What is the IUPAC name of 6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile (CID 11151661) is 6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile is COc1ccc(-c2nc(C(OC)OC)cc(SC)c2C#N)cc1.
What is the InChIKey of 6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is FMQLTKZUCJTAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-20-12-7-5-11(6-8-12)16-13(10-18)15(23-4)9-14(19-16)17(21-2)22-3/h5-9,17H,1-4H3.
What are the key properties of 6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile?
6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 330.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethoxymethyl)-2-(4-methoxyphenyl)-4-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 11151661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).