4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile

C12H16N2OS — CID 2053739

IUPAC4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile
SMILESCCCSc1nc(C)cc(COC)c1C#N
InChIInChI=1S/C12H16N2OS/c1-4-5-16-12-11(7-13)10(8-15-3)6-9(2)14-12/h6H,4-5,8H2,1-3H3
InChIKeyUHYSAGFCFKJPQM-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.91
Rot. Bonds5

About 4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile (PubChem CID 2053739) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile
PubChem CID2053739
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile
SMILESCCCSc1nc(C)cc(COC)c1C#N
InChIInChI=1S/C12H16N2OS/c1-4-5-16-12-11(7-13)10(8-15-3)6-9(2)14-12/h6H,4-5,8H2,1-3H3
InChIKeyUHYSAGFCFKJPQM-UHFFFAOYSA-N
XLogP2.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Chlorophenyl)methylsulfanyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 2055113
4-Methoxymethyl-6-methyl-2-(4-nitro-benzylsulfanyl)-nicotinonitrile
CID 2721395
Ethyl 3-cyano-6-methyl-2-(methylthio)isonicotinate
CID 2726217
2-(Benzylthio)-6-(dimethoxymethyl)nicotinonitrile
CID 2745217
2-[(4-Bromobenzyl)sulfanyl]-4-(methoxymethyl)-6-methylnicotinonitrile
CID 3697572
2-((2-Chlorobenzyl)thio)-4-(methoxymethyl)-6-methylnicotinonitrile
CID 708959
2-(3-Cyano-4-methoxymethyl-6-methyl-pyridin-2-ylsulfanyl)-N-o-tolyl-acetamide
CID 655184
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
CID 755828
4-(Methoxymethyl)-6-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile
CID 2215459
2-Benzylsulfanyl-4-methoxymethyl-6-methyl-nicotinonitrile
CID 684242
2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]thio}-N-(2,3-dimethylphenyl)acetamide
CID 1804684
2-[(4-Methoxyphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 975730

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile (CID 2053739) is 4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile is CCCSc1nc(C)cc(COC)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile?
The InChIKey is UHYSAGFCFKJPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-5-16-12-11(7-13)10(8-15-3)6-9(2)14-12/h6H,4-5,8H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile has a molecular weight of 236.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-propylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 2053739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).