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

C16H14N4O2S — CID 11255849

IUPAC2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1
InChIInChI=1S/C16H14N4O2S/c1-22-11-4-2-10(3-5-11)14-12(8-17)15(19)20-16(13(14)9-18)23-7-6-21/h2-5,21H,6-7H2,1H3,(H2,19,20)
InChIKeyLWIZMQXDGANRMC-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.17
Rot. Bonds5

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

2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 11255849) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
PubChem CID11255849
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1
InChIInChI=1S/C16H14N4O2S/c1-22-11-4-2-10(3-5-11)14-12(8-17)15(19)20-16(13(14)9-18)23-7-6-21/h2-5,21H,6-7H2,1H3,(H2,19,20)
InChIKeyLWIZMQXDGANRMC-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile (CID 11255849) is 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile is COc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is LWIZMQXDGANRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-11-4-2-10(3-5-11)14-12(8-17)15(19)20-16(13(14)9-18)23-7-6-21/h2-5,21H,6-7H2,1H3,(H2,19,20).
What are the key properties of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-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-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11255849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).