2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide

C35H37N9O4 — CID 67550244

IUPAC2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide
SMILESCCCn1c(C(=O)Nc2ccc3[nH]c(C(=O)NCCN)cc3c2)cc2cc(C(=O)Nc3ccc4[nH]c(C(=O)NCCN)cc4c3)ccc21
InChIInChI=1S/C35H37N9O4/c1-2-13-44-30-8-3-20(32(45)40-24-4-6-26-21(15-24)17-28(42-26)33(46)38-11-9-36)14-23(30)19-31(44)35(48)41-25-5-7-27-22(16-25)18-29(43-27)34(47)39-12-10-37/h3-8,14-19,42-43H,2,9-13,36-37H2,1H3,(H,38,46)(H,39,47)(H,40,45)(H,41,48)
InChIKeyRIHITGGKFNRJAO-UHFFFAOYSA-N
MW647.74 g/mol
LogP3.90
Rot. Bonds12

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

2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide (PubChem CID 67550244) has the molecular formula C35H37N9O4 and a molecular weight of 647.74 g/mol. Its IUPAC name is 2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide
PubChem CID67550244
Molecular FormulaC35H37N9O4
Molecular Weight647.74 g/mol
Exact Mass647.30
IUPAC Name2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide
SMILESCCCn1c(C(=O)Nc2ccc3[nH]c(C(=O)NCCN)cc3c2)cc2cc(C(=O)Nc3ccc4[nH]c(C(=O)NCCN)cc4c3)ccc21
InChIInChI=1S/C35H37N9O4/c1-2-13-44-30-8-3-20(32(45)40-24-4-6-26-21(15-24)17-28(42-26)33(46)38-11-9-36)14-23(30)19-31(44)35(48)41-25-5-7-27-22(16-25)18-29(43-27)34(47)39-12-10-37/h3-8,14-19,42-43H,2,9-13,36-37H2,1H3,(H,38,46)(H,39,47)(H,40,45)(H,41,48)
InChIKeyRIHITGGKFNRJAO-UHFFFAOYSA-N
XLogP3.90
TPSA204.95 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.74
LogP ≤ 53.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747054
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
5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
CID 83281983
5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747078
2-N,2-N,5-N,5-N-tetrakis[2-(2-aminoethylcarbamoyl)-1-(ethoxymethyl)indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 87905805
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-[(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-[bis[2-(2-aminoethylcarbamoyl)-1-(ethoxymethyl)indol-5-yl]carbamoyl]-1H-indole-5-carboxylic acid
CID 67550218
2-N,5-N-bis[2-[2-[[(2S)-2,5-diaminopentanoyl]amino]ethylcarbamoyl]-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 67550216
2-N,5-N-bis[2-[2-(2,3-diaminopropylamino)ethylcarbamoyl]-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 67550270
5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide
CID 159082495

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide (CID 67550244) is 2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide is CCCn1c(C(=O)Nc2ccc3[nH]c(C(=O)NCCN)cc3c2)cc2cc(C(=O)Nc3ccc4[nH]c(C(=O)NCCN)cc4c3)ccc21.
What is the InChIKey of 2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide?
The InChIKey is RIHITGGKFNRJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N9O4/c1-2-13-44-30-8-3-20(32(45)40-24-4-6-26-21(15-24)17-28(42-26)33(46)38-11-9-36)14-23(30)19-31(44)35(48)41-25-5-7-27-22(16-25)18-29(43-27)34(47)39-12-10-37/h3-8,14-19,42-43H,2,9-13,36-37H2,1H3,(H,38,46)(H,39,47)(H,40,45)(H,41,48).
What are the key properties of 2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide?
2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide has a molecular weight of 647.74 g/mol, XLogP of 3.90, 12 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide is sourced from PubChem (CID 67550244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).