2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide

C19H16N4O3 — CID 166231237

IUPAC2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1cc2ccccc2[nH]1)C(=O)CN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C19H16N4O3/c1-22(10-13-9-12-5-2-3-7-15(12)21-13)16(24)11-23-18(25)14-6-4-8-20-17(14)19(23)26/h2-9,21H,10-11H2,1H3
InChIKeyGRGLSXRRIPBKBY-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.82
Rot. Bonds4

About 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide

2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide (PubChem CID 166231237) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide
PubChem CID166231237
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1cc2ccccc2[nH]1)C(=O)CN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C19H16N4O3/c1-22(10-13-9-12-5-2-3-7-15(12)21-13)16(24)11-23-18(25)14-6-4-8-20-17(14)19(23)26/h2-9,21H,10-11H2,1H3
InChIKeyGRGLSXRRIPBKBY-UHFFFAOYSA-N
XLogP1.82
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide (CID 166231237) is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide is CN(Cc1cc2ccccc2[nH]1)C(=O)CN1C(=O)c2cccnc2C1=O.
What is the InChIKey of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide?
The InChIKey is GRGLSXRRIPBKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-22(10-13-9-12-5-2-3-7-15(12)21-13)16(24)11-23-18(25)14-6-4-8-20-17(14)19(23)26/h2-9,21H,10-11H2,1H3.
What are the key properties of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide?
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide has a molecular weight of 348.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 166231237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).