3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

C21H20N4O4 — CID 71754627

IUPAC3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)c4ccncc4C3=O)c2c1
InChIInChI=1S/C21H20N4O4/c1-29-14-2-3-18-16(10-14)13(11-24-18)4-8-23-19(26)6-9-25-20(27)15-5-7-22-12-17(15)21(25)28/h2-3,5,7,10-12,24H,4,6,8-9H2,1H3,(H,23,26)
InChIKeyYOMAMGDIWNKQKF-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.92
Rot. Bonds7

About 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide (PubChem CID 71754627) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
PubChem CID71754627
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)c4ccncc4C3=O)c2c1
InChIInChI=1S/C21H20N4O4/c1-29-14-2-3-18-16(10-14)13(11-24-18)4-8-23-19(26)6-9-25-20(27)15-5-7-22-12-17(15)21(25)28/h2-3,5,7,10-12,24H,4,6,8-9H2,1H3,(H,23,26)
InChIKeyYOMAMGDIWNKQKF-UHFFFAOYSA-N
XLogP1.92
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 71754941
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
CID 46924288
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906584
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 131889099
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 71754681
sodium 5-methoxy-3-[2-(3-sulfonatosulfanylpropanoylamino)ethyl]-1H-indole
CID 23704768
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide (CID 71754627) is 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide is COc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)c4ccncc4C3=O)c2c1.
What is the InChIKey of 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is YOMAMGDIWNKQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-29-14-2-3-18-16(10-14)13(11-24-18)4-8-23-19(26)6-9-25-20(27)15-5-7-22-12-17(15)21(25)28/h2-3,5,7,10-12,24H,4,6,8-9H2,1H3,(H,23,26).
What are the key properties of 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 392.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 71754627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).