1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide

C23H18N4O3 — CID 5327688

IUPAC1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide
SMILESCn1cc(C2=C(c3cn(C)c4cc(C(N)=O)ccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H18N4O3/c1-26-10-15(13-5-3-4-6-17(13)26)19-20(23(30)25-22(19)29)16-11-27(2)18-9-12(21(24)28)7-8-14(16)18/h3-11H,1-2H3,(H2,24,28)(H,25,29,30)
InChIKeyJDFHTCHKNZWWME-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.34
Rot. Bonds3

About 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide

1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide (PubChem CID 5327688) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide
PubChem CID5327688
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide
SMILESCn1cc(C2=C(c3cn(C)c4cc(C(N)=O)ccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H18N4O3/c1-26-10-15(13-5-3-4-6-17(13)26)19-20(23(30)25-22(19)29)16-11-27(2)18-9-12(21(24)28)7-8-14(16)18/h3-11H,1-2H3,(H2,24,28)(H,25,29,30)
InChIKeyJDFHTCHKNZWWME-UHFFFAOYSA-N
XLogP2.34
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide?
The IUPAC name of 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide (CID 5327688) is 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide.
What is the SMILES notation for 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide?
The canonical SMILES for 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide is Cn1cc(C2=C(c3cn(C)c4cc(C(N)=O)ccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide?
The InChIKey is JDFHTCHKNZWWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-26-10-15(13-5-3-4-6-17(13)26)19-20(23(30)25-22(19)29)16-11-27(2)18-9-12(21(24)28)7-8-14(16)18/h3-11H,1-2H3,(H2,24,28)(H,25,29,30).
What are the key properties of 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide?
1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indole-6-carboxamide is sourced from PubChem (CID 5327688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).