2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide

C23H22N3O2+ — CID 8831284

IUPAC2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C[n+]3cccc(C(C)=O)c3)ccc21
InChIInChI=1S/C23H21N3O2/c1-3-26-21-9-5-4-8-19(21)20-13-18(10-11-22(20)26)24-23(28)15-25-12-6-7-17(14-25)16(2)27/h4-14H,3,15H2,1-2H3/p+1
InChIKeyDTZHDPXYEZKYFG-UHFFFAOYSA-O
MW372.45 g/mol
LogP3.94
Rot. Bonds5

About 2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide

2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 8831284) has the molecular formula C23H22N3O2+ and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide
PubChem CID8831284
Molecular FormulaC23H22N3O2+
Molecular Weight372.45 g/mol
Exact Mass372.17
IUPAC Name2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C[n+]3cccc(C(C)=O)c3)ccc21
InChIInChI=1S/C23H21N3O2/c1-3-26-21-9-5-4-8-19(21)20-13-18(10-11-22(20)26)24-23(28)15-25-12-6-7-17(14-25)16(2)27/h4-14H,3,15H2,1-2H3/p+1
InChIKeyDTZHDPXYEZKYFG-UHFFFAOYSA-O
XLogP3.94
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
CID 8831132
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide
CID 2701298
2-(3-acetylpyridin-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8831164
2-(3-acetylpyridin-1-ium-1-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 8831329
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
2-(4-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 22776873
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide?
The IUPAC name of 2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide (CID 8831284) is 2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide?
The canonical SMILES for 2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)C[n+]3cccc(C(C)=O)c3)ccc21.
What is the InChIKey of 2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide?
The InChIKey is DTZHDPXYEZKYFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H21N3O2/c1-3-26-21-9-5-4-8-19(21)20-13-18(10-11-22(20)26)24-23(28)15-25-12-6-7-17(14-25)16(2)27/h4-14H,3,15H2,1-2H3/p+1.
What are the key properties of 2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide?
2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylpyridin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 8831284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).