2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide

C16H18N3O3+ — CID 8860902

IUPAC2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCCc1ccc(C)[n+](CC(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O3/c1-3-13-9-8-12(2)18(10-13)11-16(20)17-14-6-4-5-7-15(14)19(21)22/h4-10H,3,11H2,1-2H3/p+1
InChIKeyLJKVTPYDOINKDA-UHFFFAOYSA-O
MW300.34 g/mol
LogP2.39
Rot. Bonds5

About 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide

2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide (PubChem CID 8860902) has the molecular formula C16H18N3O3+ and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide
PubChem CID8860902
Molecular FormulaC16H18N3O3+
Molecular Weight300.34 g/mol
Exact Mass300.13
IUPAC Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCCc1ccc(C)[n+](CC(=O)Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O3/c1-3-13-9-8-12(2)18(10-13)11-16(20)17-14-6-4-5-7-15(14)19(21)22/h4-10H,3,11H2,1-2H3/p+1
InChIKeyLJKVTPYDOINKDA-UHFFFAOYSA-O
XLogP2.39
TPSA76.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
CID 8862566
N-(2-chloro-4-nitrophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
CID 8860917
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 8860808
(4-ethylphenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 7830803
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 7663331
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 51178521
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
2-(4-aminophenyl)-N-(2-nitrophenyl)acetamide
CID 43708294
2-[ethyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetic acid
CID 61012422
[2-(2-nitroanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536448

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide (CID 8860902) is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide is CCc1ccc(C)[n+](CC(=O)Nc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide?
The InChIKey is LJKVTPYDOINKDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17N3O3/c1-3-13-9-8-12(2)18(10-13)11-16(20)17-14-6-4-5-7-15(14)19(21)22/h4-10H,3,11H2,1-2H3/p+1.
What are the key properties of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide?
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide has a molecular weight of 300.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 8860902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).