6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C21H23N5O2 — CID 109154902

IUPAC6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=CN1CCN(c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2)CC1
InChIInChI=1S/C21H23N5O2/c27-15-25-9-11-26(12-10-25)20-6-5-17(14-24-20)21(28)22-8-7-16-13-23-19-4-2-1-3-18(16)19/h1-6,13-15,23H,7-12H2,(H,22,28)
InChIKeySQPFFAOCHXHBIO-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.81
Rot. Bonds6

About 6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 109154902) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID109154902
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=CN1CCN(c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2)CC1
InChIInChI=1S/C21H23N5O2/c27-15-25-9-11-26(12-10-25)20-6-5-17(14-24-20)21(28)22-8-7-16-13-23-19-4-2-1-3-18(16)19/h1-6,13-15,23H,7-12H2,(H,22,28)
InChIKeySQPFFAOCHXHBIO-UHFFFAOYSA-N
XLogP1.81
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109208888
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
5-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109279191
6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159738
6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858233
N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116156
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 60593019
6-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123273
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
2-[2-(1H-indol-3-yl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109002295

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 109154902) is 6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is O=CN1CCN(c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cn2)CC1.
What is the InChIKey of 6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is SQPFFAOCHXHBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-15-25-9-11-26(12-10-25)20-6-5-17(14-24-20)21(28)22-8-7-16-13-23-19-4-2-1-3-18(16)19/h1-6,13-15,23H,7-12H2,(H,22,28).
What are the key properties of 6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109154902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).