2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile

C25H20N8O2S — CID 70899071

IUPAC2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2cccc(Nc3ccncc3)n2)c(C#N)c1-c1ccc(OCCO)nc1
InChIInChI=1S/C25H20N8O2S/c26-12-19-23(16-4-5-22(30-14-16)35-11-10-34)20(13-27)25(33-24(19)28)36-15-18-2-1-3-21(32-18)31-17-6-8-29-9-7-17/h1-9,14,34H,10-11,15H2,(H2,28,33)(H,29,31,32)
InChIKeyWYQBBQXAMWOGPE-UHFFFAOYSA-N
MW496.56 g/mol
LogP3.67
Rot. Bonds9

About 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile

2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile (PubChem CID 70899071) has the molecular formula C25H20N8O2S and a molecular weight of 496.56 g/mol. Its IUPAC name is 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
PubChem CID70899071
Molecular FormulaC25H20N8O2S
Molecular Weight496.56 g/mol
Exact Mass496.14
IUPAC Name2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2cccc(Nc3ccncc3)n2)c(C#N)c1-c1ccc(OCCO)nc1
InChIInChI=1S/C25H20N8O2S/c26-12-19-23(16-4-5-22(30-14-16)35-11-10-34)20(13-27)25(33-24(19)28)36-15-18-2-1-3-21(32-18)31-17-6-8-29-9-7-17/h1-9,14,34H,10-11,15H2,(H2,28,33)(H,29,31,32)
InChIKeyWYQBBQXAMWOGPE-UHFFFAOYSA-N
XLogP3.67
TPSA166.65 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile (CID 70899071) is 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2cccc(Nc3ccncc3)n2)c(C#N)c1-c1ccc(OCCO)nc1.
What is the InChIKey of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The InChIKey is WYQBBQXAMWOGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8O2S/c26-12-19-23(16-4-5-22(30-14-16)35-11-10-34)20(13-27)25(33-24(19)28)36-15-18-2-1-3-21(32-18)31-17-6-8-29-9-7-17/h1-9,14,34H,10-11,15H2,(H2,28,33)(H,29,31,32).
What are the key properties of 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile has a molecular weight of 496.56 g/mol, XLogP of 3.67, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-6-[[6-(pyridin-4-ylamino)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 70899071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).