2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide

C23H25N7O3 — CID 58747054

IUPAC2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
SMILESNCCNC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(=O)NCCN)cc4c3)ccc2[nH]1
InChIInChI=1S/C23H25N7O3/c24-5-7-26-22(32)19-11-14-9-13(1-3-17(14)29-19)21(31)28-16-2-4-18-15(10-16)12-20(30-18)23(33)27-8-6-25/h1-4,9-12,29-30H,5-8,24-25H2,(H,26,32)(H,27,33)(H,28,31)
InChIKeyBLMCYGQOWBXVLA-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.28
Rot. Bonds8

About 2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide

2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide (PubChem CID 58747054) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
PubChem CID58747054
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
SMILESNCCNC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(=O)NCCN)cc4c3)ccc2[nH]1
InChIInChI=1S/C23H25N7O3/c24-5-7-26-22(32)19-11-14-9-13(1-3-17(14)29-19)21(31)28-16-2-4-18-15(10-16)12-20(30-18)23(33)27-8-6-25/h1-4,9-12,29-30H,5-8,24-25H2,(H,26,32)(H,27,33)(H,28,31)
InChIKeyBLMCYGQOWBXVLA-UHFFFAOYSA-N
XLogP1.28
TPSA170.92 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 51.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2-aminoethyl)-2-N-[2-[2-[(N-ethyl-N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 142877490
2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide
CID 67550244
5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747078
5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 10461697
2-N,5-N-bis[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 20755652
2-N,5-N-bis[2-[2-(2,3-diaminopropylamino)ethylcarbamoyl]-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 67550270
2-N,5-N-bis[2-[2-[[(2S)-2,5-diaminopentanoyl]amino]ethylcarbamoyl]-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 67550216
5-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-6-yl]-2-N-[2-(propylcarbamoyl)-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 20755648
5-N-[2-(diaminomethylideneamino)ethyl]-2-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1-benzothiophen-5-yl]-1H-indole-2,5-dicarboxamide
CID 10256947
N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
CID 83280456
N-(2-aminoethyl)-2-[[[2-[3-(diaminomethylideneamino)propylcarbamoyl]-1H-indol-6-yl]amino]methyl]-1H-indole-5-carboxamide
CID 142877506
N-[5-(2-aminoethylcarbamoyl)-1-(2-methylpropyl)pyrrol-3-yl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide
CID 86591608

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide (CID 58747054) is 2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide is NCCNC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(=O)NCCN)cc4c3)ccc2[nH]1.
What is the InChIKey of 2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide?
The InChIKey is BLMCYGQOWBXVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c24-5-7-26-22(32)19-11-14-9-13(1-3-17(14)29-19)21(31)28-16-2-4-18-15(10-16)12-20(30-18)23(33)27-8-6-25/h1-4,9-12,29-30H,5-8,24-25H2,(H,26,32)(H,27,33)(H,28,31).
What are the key properties of 2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide?
2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.28, 8 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide is sourced from PubChem (CID 58747054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).