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

C32H34N4O2 — CID 171138249

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

N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 171138249) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide
• PubChem CID: 171138249
• Molecular Formula: C32H34N4O2
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.27
• IUPAC Name: N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide
• SMILES: CC(NC(=O)c1ccc(CN2CCN(CC=Cc3ccccc3)CC2)[nH]c1=O)c1cccc2ccccc12
• InChI: InChI=1S/C32H34N4O2/c1-24(28-15-7-13-26-12-5-6-14-29(26)28)33-31(37)30-17-16-27(34-32(30)38)23-36-21-19-35(20-22-36)18-8-11-25-9-3-2-4-10-25/h2-17,24H,18-23H2,1H3,(H,33,37)(H,34,38)
• InChIKey: SKYGXULRBOPNKX-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 68.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide?

The IUPAC name of N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide (CID 171138249) is N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide?

The canonical SMILES for N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(CN2CCN(CC=Cc3ccccc3)CC2)[nH]c1=O)c1cccc2ccccc12.

What is the InChIKey of N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide?

The InChIKey is SKYGXULRBOPNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-24(28-15-7-13-26-12-5-6-14-29(26)28)33-31(37)30-17-16-27(34-32(30)38)23-36-21-19-35(20-22-36)18-8-11-25-9-3-2-4-10-25/h2-17,24H,18-23H2,1H3,(H,33,37)(H,34,38).

What are the key properties of N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide?

N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-naphthalen-1-ylethyl)-2-oxo-6-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171138249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).