N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide

C20H18N4O2Se2 — CID 5328102

IUPACN-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide
SMILESCNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NC)[nH]c2ccccc12
InChIInChI=1S/C20H18N4O2Se2/c1-21-17(25)15-11-7-3-5-9-13(11)23-19(15)27-28-20-16(18(26)22-2)12-8-4-6-10-14(12)24-20/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26)
InChIKeySSIOMHJBYZEOEK-UHFFFAOYSA-N
MW504.31 g/mol
LogP0.64
Rot. Bonds5

About N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide

N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide (PubChem CID 5328102) has the molecular formula C20H18N4O2Se2 and a molecular weight of 504.31 g/mol. Its IUPAC name is N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide
PubChem CID5328102
Molecular FormulaC20H18N4O2Se2
Molecular Weight504.31 g/mol
Exact Mass505.98
IUPAC NameN-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide
SMILESCNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NC)[nH]c2ccccc12
InChIInChI=1S/C20H18N4O2Se2/c1-21-17(25)15-11-7-3-5-9-13(11)23-19(15)27-28-20-16(18(26)22-2)12-8-4-6-10-14(12)24-20/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26)
InChIKeySSIOMHJBYZEOEK-UHFFFAOYSA-N
XLogP0.64
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.31
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide?
The IUPAC name of N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide (CID 5328102) is N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide is CNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NC)[nH]c2ccccc12.
What is the InChIKey of N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide?
The InChIKey is SSIOMHJBYZEOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2Se2/c1-21-17(25)15-11-7-3-5-9-13(11)23-19(15)27-28-20-16(18(26)22-2)12-8-4-6-10-14(12)24-20/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide?
N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide has a molecular weight of 504.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 5328102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).