2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide

C32H36N4O3+2 — CID 23386947

IUPAC2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide
SMILESO=C(C[n+]1ccc(-c2ccccc2)cc1)NCCCOCCCNC(=O)C[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H34N4O3/c37-31(25-35-19-13-29(14-20-35)27-9-3-1-4-10-27)33-17-7-23-39-24-8-18-34-32(38)26-36-21-15-30(16-22-36)28-11-5-2-6-12-28/h1-6,9-16,19-22H,7-8,17-18,23-26H2/p+2
InChIKeyGJHQVELOGLNTDN-UHFFFAOYSA-P
MW524.67 g/mol
LogP3.33
Rot. Bonds14

About 2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide

2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide (PubChem CID 23386947) has the molecular formula C32H36N4O3+2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide
PubChem CID23386947
Molecular FormulaC32H36N4O3+2
Molecular Weight524.67 g/mol
Exact Mass524.28
IUPAC Name2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide
SMILESO=C(C[n+]1ccc(-c2ccccc2)cc1)NCCCOCCCNC(=O)C[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H34N4O3/c37-31(25-35-19-13-29(14-20-35)27-9-3-1-4-10-27)33-17-7-23-39-24-8-18-34-32(38)26-36-21-15-30(16-22-36)28-11-5-2-6-12-28/h1-6,9-16,19-22H,7-8,17-18,23-26H2/p+2
InChIKeyGJHQVELOGLNTDN-UHFFFAOYSA-P
XLogP3.33
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 20771800
2-(4-phenylpyridin-1-ium-1-yl)-N-[2-[2-[2-[2-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 22889790
N-(3-ethoxypropyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827152
N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CID 3623487
2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
CID 8859646
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877383
N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
CID 13133471
N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide
CID 51218463
N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CID 4178019
N-[3-(2-hydroxyethoxy)propyl]-2-phenylbenzamide
CID 110022367
N-octyl-2-pyridin-1-ium-1-ylacetamide chloride
CID 71712796

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide?
The IUPAC name of 2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide (CID 23386947) is 2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide.
What is the SMILES notation for 2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide?
The canonical SMILES for 2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide is O=C(C[n+]1ccc(-c2ccccc2)cc1)NCCCOCCCNC(=O)C[n+]1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide?
The InChIKey is GJHQVELOGLNTDN-UHFFFAOYSA-P. The full InChI is InChI=1S/C32H34N4O3/c37-31(25-35-19-13-29(14-20-35)27-9-3-1-4-10-27)33-17-7-23-39-24-8-18-34-32(38)26-36-21-15-30(16-22-36)28-11-5-2-6-12-28/h1-6,9-16,19-22H,7-8,17-18,23-26H2/p+2.
What are the key properties of 2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide?
2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide has a molecular weight of 524.67 g/mol, XLogP of 3.33, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide is sourced from PubChem (CID 23386947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).