2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile

C17H17N5OS — CID 11739287

IUPAC2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCN(C)c1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1
InChIInChI=1S/C17H17N5OS/c1-22(2)12-5-3-11(4-6-12)15-13(9-18)16(20)21-17(14(15)10-19)24-8-7-23/h3-6,23H,7-8H2,1-2H3,(H2,20,21)
InChIKeyIMNHXHGQBWALSD-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.22
Rot. Bonds5

About 2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile

2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 11739287) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID11739287
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCN(C)c1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1
InChIInChI=1S/C17H17N5OS/c1-22(2)12-5-3-11(4-6-12)15-13(9-18)16(20)21-17(14(15)10-19)24-8-7-23/h3-6,23H,7-8H2,1-2H3,(H2,20,21)
InChIKeyIMNHXHGQBWALSD-UHFFFAOYSA-N
XLogP2.22
TPSA109.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-{[(3,5-dicyano-4-ethyl-6-{methyl[2-(methylamino)ethyl]amino}pyridin-2-yl)sulfanyl]methyl}phenyl)-N-methylmethanesulfonamide
CID 132233147
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-trifluoromethyl-phenyl)-pyridine-3,5-dicarbonitrile
CID 11268516
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-p-tolyl-pyridine-3,5-dicarbonitrile
CID 11301348
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile
CID 11369938
2-Amino-4-(4-fluoro-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11392863
2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339
2-Amino-6-(propylthio)-4-(p-tolyl)pyridine-3,5-dicarbonitrile
CID 660788
2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(2-methylphenyl)acetamide
CID 678367
2-Amino-4-(4-methylphenyl)-6-(2-methylprop-2-enylsulfanyl)pyridine-3,5-dicarbonitrile
CID 892465
6-Amino-4-phenyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile
CID 2057307
2-Amino-4-(3-fluoro-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11186097
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-m-tolyl-pyridine-3,5-dicarbonitrile
CID 11449747

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile (CID 11739287) is 2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile is CN(C)c1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)cc1.
What is the InChIKey of 2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is IMNHXHGQBWALSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-22(2)12-5-3-11(4-6-12)15-13(9-18)16(20)21-17(14(15)10-19)24-8-7-23/h3-6,23H,7-8H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 339.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(dimethylamino)phenyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11739287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).