N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride

C22H24ClN5O2 — CID 70244247

IUPACN-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCNCCNC(=O)n1ccc2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C22H23N5O2.ClH/c28-21(18-15-26-19-7-3-2-6-17(18)19)24-12-10-23-11-13-25-22(29)27-14-9-16-5-1-4-8-20(16)27;/h1-9,14-15,23,26H,10-13H2,(H,24,28)(H,25,29);1H
InChIKeyJWTYVOZHWKUUKE-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.12
Rot. Bonds7

About N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride

N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride (PubChem CID 70244247) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride
PubChem CID70244247
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC NameN-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCNCCNC(=O)n1ccc2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C22H23N5O2.ClH/c28-21(18-15-26-19-7-3-2-6-17(18)19)24-12-10-23-11-13-25-22(29)27-14-9-16-5-1-4-8-20(16)27;/h1-9,14-15,23,26H,10-13H2,(H,24,28)(H,25,29);1H
InChIKeyJWTYVOZHWKUUKE-UHFFFAOYSA-N
XLogP3.12
TPSA90.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-indole-3-carbaldehyde;1-indol-1-ylethanone;1-(1H-indol-3-yl)ethanone
CID 174483590
N-[2-(furan-2-carbonylamino)ethyl]-1H-indole-3-carboxamide
CID 42581260
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
2-hydroxy-4-(1H-indole-3-carbonylamino)butanoic acid
CID 107831836
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
N-[2-(methylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 84541178
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-(2-ethyl-2-hydroxybutyl)-1H-indole-3-carboxamide
CID 65110571
N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445167
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-3-carboxamide
CID 103713461

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride (CID 70244247) is N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride is Cl.O=C(NCCNCCNC(=O)n1ccc2ccccc21)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride?
The InChIKey is JWTYVOZHWKUUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.ClH/c28-21(18-15-26-19-7-3-2-6-17(18)19)24-12-10-23-11-13-25-22(29)27-14-9-16-5-1-4-8-20(16)27;/h1-9,14-15,23,26H,10-13H2,(H,24,28)(H,25,29);1H.
What are the key properties of N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride?
N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride has a molecular weight of 425.92 g/mol, XLogP of 3.12, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-indole-3-carbonylamino)ethylamino]ethyl]indole-1-carboxamide;hydrochloride is sourced from PubChem (CID 70244247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).