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

C34H40N4O5+2 — CID 22889790

IUPAC2-(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
SMILESO=C(C[n+]1ccc(-c2ccccc2)cc1)NCCOCCOCCOCCNC(=O)C[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C34H38N4O5/c39-33(27-37-17-11-31(12-18-37)29-7-3-1-4-8-29)35-15-21-41-23-25-43-26-24-42-22-16-36-34(40)28-38-19-13-32(14-20-38)30-9-5-2-6-10-30/h1-14,17-20H,15-16,21-28H2/p+2
InChIKeyCECJZYODPRSHCI-UHFFFAOYSA-P
MW584.72 g/mol
LogP2.58
Rot. Bonds18

About 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

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 (PubChem CID 22889790) has the molecular formula C34H40N4O5+2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID22889790
Molecular FormulaC34H40N4O5+2
Molecular Weight584.72 g/mol
Exact Mass584.30
IUPAC Name2-(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
SMILESO=C(C[n+]1ccc(-c2ccccc2)cc1)NCCOCCOCCOCCNC(=O)C[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C34H38N4O5/c39-33(27-37-17-11-31(12-18-37)29-7-3-1-4-8-29)35-15-21-41-23-25-43-26-24-42-22-16-36-34(40)28-38-19-13-32(14-20-38)30-9-5-2-6-10-30/h1-14,17-20H,15-16,21-28H2/p+2
InChIKeyCECJZYODPRSHCI-UHFFFAOYSA-P
XLogP2.58
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.72
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide
CID 23386947
N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 20771800
2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxyethyl)acetamide
CID 8859646
N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CID 3623487
N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
CID 13133471
N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CID 4178019
N-(2-heptadecylperoxyethyl)-2-pyridin-1-ium-1-ylacetamide chloride
CID 22186501
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8860463
2-(4-benzylpyridin-1-ium-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 8859529
benzyl N-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170898622
4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium
CID 3650539

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(C[n+]1ccc(-c2ccccc2)cc1)NCCOCCOCCOCCNC(=O)C[n+]1ccc(-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is CECJZYODPRSHCI-UHFFFAOYSA-P. The full InChI is InChI=1S/C34H38N4O5/c39-33(27-37-17-11-31(12-18-37)29-7-3-1-4-8-29)35-15-21-41-23-25-43-26-24-42-22-16-36-34(40)28-38-19-13-32(14-20-38)30-9-5-2-6-10-30/h1-14,17-20H,15-16,21-28H2/p+2.
What are the key properties of 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?
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 has a molecular weight of 584.72 g/mol, XLogP of 2.58, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22889790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).