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

C16H14N4OS — CID 11301348

IUPAC2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1
InChIInChI=1S/C16H14N4OS/c1-10-2-4-11(5-3-10)14-12(8-17)15(19)20-16(13(14)9-18)22-7-6-21/h2-5,21H,6-7H2,1H3,(H2,19,20)
InChIKeyKWQZUQSIXLLTMW-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.47
Rot. Bonds4

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

2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 11301348) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
PubChem CID11301348
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1
InChIInChI=1S/C16H14N4OS/c1-10-2-4-11(5-3-10)14-12(8-17)15(19)20-16(13(14)9-18)22-7-6-21/h2-5,21H,6-7H2,1H3,(H2,19,20)
InChIKeyKWQZUQSIXLLTMW-UHFFFAOYSA-N
XLogP2.47
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile (CID 11301348) is 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile is Cc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is KWQZUQSIXLLTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-10-2-4-11(5-3-10)14-12(8-17)15(19)20-16(13(14)9-18)22-7-6-21/h2-5,21H,6-7H2,1H3,(H2,19,20).
What are the key properties of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 310.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11301348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).