N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide

C24H27N5O — CID 21187563

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide
SMILESCN1CCN(c2cccc3[nH]c(C(=O)NCCc4c[nH]c5ccccc45)cc23)CC1
InChIInChI=1S/C24H27N5O/c1-28-11-13-29(14-12-28)23-8-4-7-21-19(23)15-22(27-21)24(30)25-10-9-17-16-26-20-6-3-2-5-18(17)20/h2-8,15-16,26-27H,9-14H2,1H3,(H,25,30)
InChIKeyXQGZOQAJOVGVCD-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide (PubChem CID 21187563) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide
PubChem CID21187563
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide
SMILESCN1CCN(c2cccc3[nH]c(C(=O)NCCc4c[nH]c5ccccc45)cc23)CC1
InChIInChI=1S/C24H27N5O/c1-28-11-13-29(14-12-28)23-8-4-7-21-19(23)15-22(27-21)24(30)25-10-9-17-16-26-20-6-3-2-5-18(17)20/h2-8,15-16,26-27H,9-14H2,1H3,(H,25,30)
InChIKeyXQGZOQAJOVGVCD-UHFFFAOYSA-N
XLogP3.37
TPSA67.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
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6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 55558900
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
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CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
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CID 109052528
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide (CID 21187563) is N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide is CN1CCN(c2cccc3[nH]c(C(=O)NCCc4c[nH]c5ccccc45)cc23)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide?
The InChIKey is XQGZOQAJOVGVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-28-11-13-29(14-12-28)23-8-4-7-21-19(23)15-22(27-21)24(30)25-10-9-17-16-26-20-6-3-2-5-18(17)20/h2-8,15-16,26-27H,9-14H2,1H3,(H,25,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 21187563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).