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

C20H18N4O3 — CID 71754941

IUPAC3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCN1C(=O)c2ccncc2C1=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H18N4O3/c25-18(22-9-5-13-11-23-17-4-2-1-3-14(13)17)7-10-24-19(26)15-6-8-21-12-16(15)20(24)27/h1-4,6,8,11-12,23H,5,7,9-10H2,(H,22,25)
InChIKeyYMVCZGFZWBPOMV-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.91
Rot. Bonds6

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

3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 71754941) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID71754941
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESO=C(CCN1C(=O)c2ccncc2C1=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H18N4O3/c25-18(22-9-5-13-11-23-17-4-2-1-3-14(13)17)7-10-24-19(26)15-6-8-21-12-16(15)20(24)27/h1-4,6,8,11-12,23H,5,7,9-10H2,(H,22,25)
InChIKeyYMVCZGFZWBPOMV-UHFFFAOYSA-N
XLogP1.91
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
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2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
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ethane-1,2-diamine;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;platinum
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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 71754941) is 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide is O=C(CCN1C(=O)c2ccncc2C1=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is YMVCZGFZWBPOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-18(22-9-5-13-11-23-17-4-2-1-3-14(13)17)7-10-24-19(26)15-6-8-21-12-16(15)20(24)27/h1-4,6,8,11-12,23H,5,7,9-10H2,(H,22,25).
What are the key properties of 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 362.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 71754941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).