2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

C13H11N5OS — CID 155547715

IUPAC2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCO)c(C#N)c1-c1cccs1
InChIInChI=1S/C13H11N5OS/c14-6-8-11(10-2-1-5-20-10)9(7-15)13(17-3-4-19)18-12(8)16/h1-2,5,19H,3-4H2,(H3,16,17,18)
InChIKeyWCIVZDIGPVNRFS-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.54
Rot. Bonds4

About 2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile

2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (PubChem CID 155547715) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
PubChem CID155547715
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCO)c(C#N)c1-c1cccs1
InChIInChI=1S/C13H11N5OS/c14-6-8-11(10-2-1-5-20-10)9(7-15)13(17-3-4-19)18-12(8)16/h1-2,5,19H,3-4H2,(H3,16,17,18)
InChIKeyWCIVZDIGPVNRFS-UHFFFAOYSA-N
XLogP1.54
TPSA118.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile (CID 155547715) is 2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(NCCO)c(C#N)c1-c1cccs1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
The InChIKey is WCIVZDIGPVNRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c14-6-8-11(10-2-1-5-20-10)9(7-15)13(17-3-4-19)18-12(8)16/h1-2,5,19H,3-4H2,(H3,16,17,18).
What are the key properties of 2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile has a molecular weight of 285.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylamino)-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 155547715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).