2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile

C16H14N4O2S — CID 11359310

IUPAC2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)c1
InChIInChI=1S/C16H14N4O2S/c1-22-11-4-2-3-10(7-11)14-12(8-17)15(19)20-16(13(14)9-18)23-6-5-21/h2-4,7,21H,5-6H2,1H3,(H2,19,20)
InChIKeyBMXPJVHSWPNGIF-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.17
Rot. Bonds5

About 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile

2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 11359310) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile
PubChem CID11359310
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)c1
InChIInChI=1S/C16H14N4O2S/c1-22-11-4-2-3-10(7-11)14-12(8-17)15(19)20-16(13(14)9-18)23-6-5-21/h2-4,7,21H,5-6H2,1H3,(H2,19,20)
InChIKeyBMXPJVHSWPNGIF-UHFFFAOYSA-N
XLogP2.17
TPSA115.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-((6-Amino-3,5-dicyano-4-(4-(cyclopropylmethoxy)phenyl)-2-pyridinyl)thio)acetamide
CID 11717831
Luf-5853
CID 9884349
Luf5831
CID 135494270
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(3-hydroxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11255409
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-methoxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11255849
2-[[6-Amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide
CID 58739995
2-[[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]sulfanyl]-N-methylacetamide
CID 89534951
2-[[6-Amino-3,5-dicyano-4-[4-(2-methylpropoxy)phenyl]-2-pyridinyl]sulfanyl]acetamide
CID 143294251
[6-Amino-3,5-dicyano-4-(4-hydroxy-phenyl)-pyridin-2-ylsulfanyl]-acetic acid methyl ester
CID 1830648
2-Amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 2818996
2-[6-Amino-4-(4-butoxyphenyl)-3,5-dicyanopyridin-2-yl]sulfanylacetamide
CID 658006
Ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate
CID 659270

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile (CID 11359310) is 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile is COc1cccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)c1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is BMXPJVHSWPNGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-11-4-2-3-10(7-11)14-12(8-17)15(19)20-16(13(14)9-18)23-6-5-21/h2-4,7,21H,5-6H2,1H3,(H2,19,20).
What are the key properties of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 326.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11359310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).