2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide

C26H26N4O2+2 — CID 3063976

IUPAC2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
SMILESCc1cccc[n+]1CC(=O)Nc1cccc2c(NC(=O)C[n+]3ccccc3C)cccc12
InChIInChI=1S/C26H24N4O2/c1-19-9-3-5-15-29(19)17-25(31)27-23-13-7-12-22-21(23)11-8-14-24(22)28-26(32)18-30-16-6-4-10-20(30)2/h3-16H,17-18H2,1-2H3/p+2
InChIKeyVGRARMLIHWJYQM-UHFFFAOYSA-P
MW426.52 g/mol
LogP3.31
Rot. Bonds6

About 2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide

2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide (PubChem CID 3063976) has the molecular formula C26H26N4O2+2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
PubChem CID3063976
Molecular FormulaC26H26N4O2+2
Molecular Weight426.52 g/mol
Exact Mass426.20
IUPAC Name2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
SMILESCc1cccc[n+]1CC(=O)Nc1cccc2c(NC(=O)C[n+]3ccccc3C)cccc12
InChIInChI=1S/C26H24N4O2/c1-19-9-3-5-15-29(19)17-25(31)27-23-13-7-12-22-21(23)11-8-14-24(22)28-26(32)18-30-16-6-4-10-20(30)2/h3-16H,17-18H2,1-2H3/p+2
InChIKeyVGRARMLIHWJYQM-UHFFFAOYSA-P
XLogP3.31
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?
The IUPAC name of 2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide (CID 3063976) is 2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?
The canonical SMILES for 2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide is Cc1cccc[n+]1CC(=O)Nc1cccc2c(NC(=O)C[n+]3ccccc3C)cccc12.
What is the InChIKey of 2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?
The InChIKey is VGRARMLIHWJYQM-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H24N4O2/c1-19-9-3-5-15-29(19)17-25(31)27-23-13-7-12-22-21(23)11-8-14-24(22)28-26(32)18-30-16-6-4-10-20(30)2/h3-16H,17-18H2,1-2H3/p+2.
What are the key properties of 2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide?
2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide is sourced from PubChem (CID 3063976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).