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

C22H22N4O2Se2 — CID 5328100

IUPACN,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide
SMILESCNC(=O)c1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12
InChIInChI=1S/C22H22N4O2Se2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(14)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28)
InChIKeyKKTAXCWCKSLCHF-UHFFFAOYSA-N
MW532.36 g/mol
LogP0.66
Rot. Bonds5

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

N,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide (PubChem CID 5328100) has the molecular formula C22H22N4O2Se2 and a molecular weight of 532.36 g/mol. Its IUPAC name is N,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide
PubChem CID5328100
Molecular FormulaC22H22N4O2Se2
Molecular Weight532.36 g/mol
Exact Mass534.01
IUPAC NameN,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide
SMILESCNC(=O)c1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12
InChIInChI=1S/C22H22N4O2Se2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(14)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28)
InChIKeyKKTAXCWCKSLCHF-UHFFFAOYSA-N
XLogP0.66
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide?
The IUPAC name of N,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide (CID 5328100) is N,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide is CNC(=O)c1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12.
What is the InChIKey of N,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide?
The InChIKey is KKTAXCWCKSLCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2Se2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(14)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide?
N,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide has a molecular weight of 532.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-[[1-methyl-3-(methylcarbamoyl)indol-2-yl]diselanyl]indole-3-carboxamide is sourced from PubChem (CID 5328100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).