2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile

C18H19N5O3S — CID 176709728

IUPAC2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCCOCCOc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)nc1
InChIInChI=1S/C18H19N5O3S/c1-2-25-6-7-26-12-3-4-15(22-11-12)16-13(9-19)17(21)23-18(14(16)10-20)27-8-5-24/h3-4,11,24H,2,5-8H2,1H3,(H2,21,23)
InChIKeySBMWETSGVWCGLA-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.97
Rot. Bonds9

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

2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 176709728) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID176709728
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCCOCCOc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)nc1
InChIInChI=1S/C18H19N5O3S/c1-2-25-6-7-26-12-3-4-15(22-11-12)16-13(9-19)17(21)23-18(14(16)10-20)27-8-5-24/h3-4,11,24H,2,5-8H2,1H3,(H2,21,23)
InChIKeySBMWETSGVWCGLA-UHFFFAOYSA-N
XLogP1.97
TPSA138.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11255849
2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-(2-methoxyethylsulfanyl)pyridine-3,5-dicarbonitrile;ethane
CID 169151765
2-amino-6-(2-cyanoethylsulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 169151815
2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 28622154
2-amino-4-[5-(2,2-difluoroethoxy)-2-pyridinyl]-6-methylsulfanylpyridine-3,5-dicarbonitrile;ethane
CID 176709770
ethane;4-[5-(2-methoxyethoxy)-2-pyridinyl]-2-methyl-6-(3,3,3-trifluoropropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709805
2-amino-4-[5-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709856
2-amino-4-[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709835
2-amino-6-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710171
2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709740
2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 24830466
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 135980988

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile (CID 176709728) is 2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile is CCOCCOc1ccc(-c2c(C#N)c(N)nc(SCCO)c2C#N)nc1.
What is the InChIKey of 2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is SBMWETSGVWCGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-2-25-6-7-26-12-3-4-15(22-11-12)16-13(9-19)17(21)23-18(14(16)10-20)27-8-5-24/h3-4,11,24H,2,5-8H2,1H3,(H2,21,23).
What are the key properties of 2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 385.45 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-(2-ethoxyethoxy)-2-pyridinyl]-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 176709728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).