N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide

C24H20N4O3 — CID 5327689

IUPACN-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1
InChIInChI=1S/C24H20N4O3/c1-13(29)25-14-8-9-16-18(12-28(3)20(16)10-14)22-21(23(30)26-24(22)31)17-11-27(2)19-7-5-4-6-15(17)19/h4-12H,1-3H3,(H,25,29)(H,26,30,31)
InChIKeyQZTLMPWKXJARBA-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.20
Rot. Bonds3

About N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide

N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide (PubChem CID 5327689) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
PubChem CID5327689
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1
InChIInChI=1S/C24H20N4O3/c1-13(29)25-14-8-9-16-18(12-28(3)20(16)10-14)22-21(23(30)26-24(22)31)17-11-27(2)19-7-5-4-6-15(17)19/h4-12H,1-3H3,(H,25,29)(H,26,30,31)
InChIKeyQZTLMPWKXJARBA-UHFFFAOYSA-N
XLogP3.20
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.20
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 N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
The IUPAC name of N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide (CID 5327689) is N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide.
What is the SMILES notation for N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
The canonical SMILES for N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide is CC(=O)Nc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1.
What is the InChIKey of N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
The InChIKey is QZTLMPWKXJARBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-13(29)25-14-8-9-16-18(12-28(3)20(16)10-14)22-21(23(30)26-24(22)31)17-11-27(2)19-7-5-4-6-15(17)19/h4-12H,1-3H3,(H,25,29)(H,26,30,31).
What are the key properties of N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide?
N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide has a molecular weight of 412.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide is sourced from PubChem (CID 5327689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).