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

C21H23N5O2 — CID 109208888

IUPAC4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESO=CN1CCN(c2ccnc(C(=O)NCCc3c[nH]c4ccccc34)c2)CC1
InChIInChI=1S/C21H23N5O2/c27-15-25-9-11-26(12-10-25)17-6-8-22-20(13-17)21(28)23-7-5-16-14-24-19-4-2-1-3-18(16)19/h1-4,6,8,13-15,24H,5,7,9-12H2,(H,23,28)
InChIKeyIJTSGWBTDWNKPE-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.81
Rot. Bonds6

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

4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 109208888) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID109208888
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESO=CN1CCN(c2ccnc(C(=O)NCCc3c[nH]c4ccccc34)c2)CC1
InChIInChI=1S/C21H23N5O2/c27-15-25-9-11-26(12-10-25)17-6-8-22-20(13-17)21(28)23-7-5-16-14-24-19-4-2-1-3-18(16)19/h1-4,6,8,13-15,24H,5,7,9-12H2,(H,23,28)
InChIKeyIJTSGWBTDWNKPE-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

N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203848
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875
6-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109154902
4-(tert-butylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215296
4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215313
4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858233
4-[[(2R)-2-hydroxypropyl]amino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 95556692
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487
4-[4-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914675
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088496
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774
5-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109279191

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide (CID 109208888) is 4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide is O=CN1CCN(c2ccnc(C(=O)NCCc3c[nH]c4ccccc34)c2)CC1.
What is the InChIKey of 4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is IJTSGWBTDWNKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-15-25-9-11-26(12-10-25)17-6-8-22-20(13-17)21(28)23-7-5-16-14-24-19-4-2-1-3-18(16)19/h1-4,6,8,13-15,24H,5,7,9-12H2,(H,23,28).
What are the key properties of 4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-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 4-(4-formylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109208888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).