2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

C24H19N5O2S — CID 169151780

IUPAC2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2cccc3[nH]ccc23)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C24H19N5O2S/c25-12-19-22(15-4-6-17(7-5-15)31-11-10-30)20(13-26)24(29-23(19)27)32-14-16-2-1-3-21-18(16)8-9-28-21/h1-9,28,30H,10-11,14H2,(H2,27,29)
InChIKeyDMOMTHMVNNXCJJ-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.22
Rot. Bonds7

About 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 169151780) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID169151780
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC Name2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2cccc3[nH]ccc23)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C24H19N5O2S/c25-12-19-22(15-4-6-17(7-5-15)31-11-10-30)20(13-26)24(29-23(19)27)32-14-16-2-1-3-21-18(16)8-9-28-21/h1-9,28,30H,10-11,14H2,(H2,27,29)
InChIKeyDMOMTHMVNNXCJJ-UHFFFAOYSA-N
XLogP4.22
TPSA131.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-(1H-indol-4-ylmethylsulfanyl)-4-[4-(oxolan-3-yloxy)phenyl]pyridine-3,5-dicarbonitrile
CID 169151756
2-amino-6-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710171
2-amino-6-(2-cyanoethylsulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 169151815
2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 24830466
3-[[6-amino-3,5-dicyano-4-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]sulfanylmethyl]-N-ethylbenzamide
CID 66631266
2-amino-6-benzylsulfanyl-4-[4-(2-methoxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710001
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11255849
2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11164346
2-chloro-6-[(3-cyanophenyl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 88983227
2-amino-6-benzylsulfanyl-4-[4-[2-(dimethylamino)ethoxy]phenyl]pyridine-3,5-dicarbonitrile
CID 68706205
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 89229589
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 89229641

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile (CID 169151780) is 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2cccc3[nH]ccc23)c(C#N)c1-c1ccc(OCCO)cc1.
What is the InChIKey of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is DMOMTHMVNNXCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c25-12-19-22(15-4-6-17(7-5-15)31-11-10-30)20(13-26)24(29-23(19)27)32-14-16-2-1-3-21-18(16)8-9-28-21/h1-9,28,30H,10-11,14H2,(H2,27,29).
What are the key properties of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 441.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1H-indol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169151780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).