2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C20H25N2O+ — CID 8861097

IUPAC2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCc1ccc(C)[n+](CC(=O)N[C@@H]2CCCc3ccccc32)c1
InChIInChI=1S/C20H24N2O/c1-3-16-12-11-15(2)22(13-16)14-20(23)21-19-10-6-8-17-7-4-5-9-18(17)19/h4-5,7,9,11-13,19H,3,6,8,10,14H2,1-2H3/p+1/t19-/m1/s1
InChIKeyDPDWQXBEIQIPSI-LJQANCHMSA-O
MW309.43 g/mol
LogP3.04
Rot. Bonds4

About 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 8861097) has the molecular formula C20H25N2O+ and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID8861097
Molecular FormulaC20H25N2O+
Molecular Weight309.43 g/mol
Exact Mass309.20
IUPAC Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCCc1ccc(C)[n+](CC(=O)N[C@@H]2CCCc3ccccc32)c1
InChIInChI=1S/C20H24N2O/c1-3-16-12-11-15(2)22(13-16)14-20(23)21-19-10-6-8-17-7-4-5-9-18(17)19/h4-5,7,9,11-13,19H,3,6,8,10,14H2,1-2H3/p+1/t19-/m1/s1
InChIKeyDPDWQXBEIQIPSI-LJQANCHMSA-O
XLogP3.04
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-ethylbenzoate
CID 2606918
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92673967
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229779
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-methylfuran-2-carboxylate
CID 2559719
2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92681011
2-isoquinolin-2-ium-2-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8828622
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
2-[benzyl(ethyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8541655
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 144973530
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 8861097) is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CCc1ccc(C)[n+](CC(=O)N[C@@H]2CCCc3ccccc32)c1.
What is the InChIKey of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is DPDWQXBEIQIPSI-LJQANCHMSA-O. The full InChI is InChI=1S/C20H24N2O/c1-3-16-12-11-15(2)22(13-16)14-20(23)21-19-10-6-8-17-7-4-5-9-18(17)19/h4-5,7,9,11-13,19H,3,6,8,10,14H2,1-2H3/p+1/t19-/m1/s1.
What are the key properties of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 309.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 8861097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).