1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide

C23H28N4O2S — CID 90811641

IUPAC1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(CCCN2CCN(c3cccc4sccc34)CC2)c1
InChIInChI=1S/C23H28N4O2S/c1-2-24-23(29)18-7-8-22(28)27(17-18)11-4-10-25-12-14-26(15-13-25)20-5-3-6-21-19(20)9-16-30-21/h3,5-9,16-17H,2,4,10-15H2,1H3,(H,24,29)
InChIKeyABEIFDZSULJFJY-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.03
Rot. Bonds7

About 1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide

1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide (PubChem CID 90811641) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide
PubChem CID90811641
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(CCCN2CCN(c3cccc4sccc34)CC2)c1
InChIInChI=1S/C23H28N4O2S/c1-2-24-23(29)18-7-8-22(28)27(17-18)11-4-10-25-12-14-26(15-13-25)20-5-3-6-21-19(20)9-16-30-21/h3,5-9,16-17H,2,4,10-15H2,1H3,(H,24,29)
InChIKeyABEIFDZSULJFJY-UHFFFAOYSA-N
XLogP3.03
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

3-acetamido-N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]benzamide
CID 69099474
N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-N-ethyl-2-sulfanylacetamide
CID 87693852
4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-chloro-3-methoxy-5-methylbenzamide
CID 141277053
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]azepan-2-one
CID 24880921
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1H-isoquinoline
CID 69468370
2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine
CID 91076986
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 66884891
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-2-azaspiro[4.4]nonan-1-one
CID 90793426
6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-methylpyrimidine-4-carboxamide
CID 143420829
N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide
CID 155803109
4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]cyclohexane-1-carboxylic acid
CID 57499606
4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-methylbenzamide
CID 67504747

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide (CID 90811641) is 1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide is CCNC(=O)c1ccc(=O)n(CCCN2CCN(c3cccc4sccc34)CC2)c1.
What is the InChIKey of 1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide?
The InChIKey is ABEIFDZSULJFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-2-24-23(29)18-7-8-22(28)27(17-18)11-4-10-25-12-14-26(15-13-25)20-5-3-6-21-19(20)9-16-30-21/h3,5-9,16-17H,2,4,10-15H2,1H3,(H,24,29).
What are the key properties of 1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide?
1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-N-ethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 90811641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).