2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide

C26H30N4O2S — CID 45198286

IUPAC2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)[nH]c1=O)c1cccs1
InChIInChI=1S/C26H30N4O2S/c1-20(24-10-6-18-33-24)27-25(31)23-12-11-22(28-26(23)32)19-30-16-14-29(15-17-30)13-5-9-21-7-3-2-4-8-21/h2-12,18,20H,13-17,19H2,1H3,(H,27,31)(H,28,32)/b9-5+
InChIKeyCXCBTGBUHZODFU-WEVVVXLNSA-N
MW462.62 g/mol
LogP3.76
Rot. Bonds8

About 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide

2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide (PubChem CID 45198286) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
PubChem CID45198286
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC Name2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)[nH]c1=O)c1cccs1
InChIInChI=1S/C26H30N4O2S/c1-20(24-10-6-18-33-24)27-25(31)23-12-11-22(28-26(23)32)19-30-16-14-29(15-17-30)13-5-9-21-7-3-2-4-8-21/h2-12,18,20H,13-17,19H2,1H3,(H,27,31)(H,28,32)/b9-5+
InChIKeyCXCBTGBUHZODFU-WEVVVXLNSA-N
XLogP3.76
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[2-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6-thiophen-2-ylpyridazin-3-one
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CID 108983973
N-[(1S)-1-thiophen-2-ylethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide (CID 45198286) is 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)[nH]c1=O)c1cccs1.
What is the InChIKey of 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CXCBTGBUHZODFU-WEVVVXLNSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-20(24-10-6-18-33-24)27-25(31)23-12-11-22(28-26(23)32)19-30-16-14-29(15-17-30)13-5-9-21-7-3-2-4-8-21/h2-12,18,20H,13-17,19H2,1H3,(H,27,31)(H,28,32)/b9-5+.
What are the key properties of 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide?
2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-N-(1-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 45198286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).