2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile

C25H16N6O2S — CID 19058492

IUPAC2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC2CC(=O)N(c3ccc4cc[nH]c4c3)C2=O)c(C#N)c1-c1ccccc1
InChIInChI=1S/C25H16N6O2S/c26-12-17-22(15-4-2-1-3-5-15)18(13-27)24(30-23(17)28)34-20-11-21(32)31(25(20)33)16-7-6-14-8-9-29-19(14)10-16/h1-10,20,29H,11H2,(H2,28,30)
InChIKeySRYLIFCOAKBBFM-UHFFFAOYSA-N
MW464.51 g/mol
LogP3.98
Rot. Bonds4

About 2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 19058492) has the molecular formula C25H16N6O2S and a molecular weight of 464.51 g/mol. Its IUPAC name is 2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID19058492
Molecular FormulaC25H16N6O2S
Molecular Weight464.51 g/mol
Exact Mass464.11
IUPAC Name2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC2CC(=O)N(c3ccc4cc[nH]c4c3)C2=O)c(C#N)c1-c1ccccc1
InChIInChI=1S/C25H16N6O2S/c26-12-17-22(15-4-2-1-3-5-15)18(13-27)24(30-23(17)28)34-20-11-21(32)31(25(20)33)16-7-6-14-8-9-29-19(14)10-16/h1-10,20,29H,11H2,(H2,28,30)
InChIKeySRYLIFCOAKBBFM-UHFFFAOYSA-N
XLogP3.98
TPSA139.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile (CID 19058492) is 2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SC2CC(=O)N(c3ccc4cc[nH]c4c3)C2=O)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is SRYLIFCOAKBBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6O2S/c26-12-17-22(15-4-2-1-3-5-15)18(13-27)24(30-23(17)28)34-20-11-21(32)31(25(20)33)16-7-6-14-8-9-29-19(14)10-16/h1-10,20,29H,11H2,(H2,28,30).
What are the key properties of 2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 464.51 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 19058492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).