2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide

C19H25N2O2+ — CID 8831152

IUPAC2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide
SMILESCC(=O)c1ccc[n+](CC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H24N2O2/c1-13(22)17-3-2-4-21(11-17)12-18(23)20-19-8-14-5-15(9-19)7-16(6-14)10-19/h2-4,11,14-16H,5-10,12H2,1H3/p+1
InChIKeyQPJZAYCFQAMDHX-UHFFFAOYSA-O
MW313.42 g/mol
LogP2.26
Rot. Bonds4

About 2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide

2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide (PubChem CID 8831152) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide
PubChem CID8831152
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Name2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide
SMILESCC(=O)c1ccc[n+](CC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H24N2O2/c1-13(22)17-3-2-4-21(11-17)12-18(23)20-19-8-14-5-15(9-19)7-16(6-14)10-19/h2-4,11,14-16H,5-10,12H2,1H3/p+1
InChIKeyQPJZAYCFQAMDHX-UHFFFAOYSA-O
XLogP2.26
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetylpyridin-1-ium-1-yl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 8830477
1-[2-(1-adamantylmethylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 8831921
N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
CID 8831132
2-(3-acetylpyridin-1-ium-1-yl)acetamide bromide
CID 23007435
2-(3-acetylpyridin-1-ium-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8831082
2-(3-acetylpyridin-1-ium-1-yl)-1-(4-bromophenyl)ethanone
CID 3694919
2-[2-(1-adamantylamino)-2-oxoethyl]sulfonyl-N-(4-methylphenyl)acetamide
CID 39083744
2-(3-acetylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide
CID 23007438
[2-(1-adamantylamino)-2-oxoethyl] 4-aminobenzoate
CID 4648812
4-acetyl-N-(1-adamantyl)benzenesulfonamide
CID 7937979
[2-(1-adamantylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204680
[2-(1-adamantylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 16521264

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide?
The IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide (CID 8831152) is 2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide.
What is the SMILES notation for 2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide?
The canonical SMILES for 2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide is CC(=O)c1ccc[n+](CC(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide?
The InChIKey is QPJZAYCFQAMDHX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-13(22)17-3-2-4-21(11-17)12-18(23)20-19-8-14-5-15(9-19)7-16(6-14)10-19/h2-4,11,14-16H,5-10,12H2,1H3/p+1.
What are the key properties of 2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide?
2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide has a molecular weight of 313.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylpyridin-1-ium-1-yl)-N-(1-adamantyl)acetamide is sourced from PubChem (CID 8831152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).