N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane

C18H23N3OP+ — CID 155692493

IUPACN-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane
SMILESCP.Cc1cccc(C)c1NC(=O)C[n+]1cc2ccccn2c1
InChIInChI=1S/C17H17N3O.CH5P/c1-13-6-5-7-14(2)17(13)18-16(21)11-19-10-15-8-3-4-9-20(15)12-19;1-2/h3-10,12H,11H2,1-2H3;2H2,1H3/p+1
InChIKeyOFOJOAAGXHLDRE-UHFFFAOYSA-O
MW328.38 g/mol
LogP2.97
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane

N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane (PubChem CID 155692493) has the molecular formula C18H23N3OP+ and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane
PubChem CID155692493
Molecular FormulaC18H23N3OP+
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane
SMILESCP.Cc1cccc(C)c1NC(=O)C[n+]1cc2ccccn2c1
InChIInChI=1S/C17H17N3O.CH5P/c1-13-6-5-7-14(2)17(13)18-16(21)11-19-10-15-8-3-4-9-20(15)12-19;1-2/h3-10,12H,11H2,1-2H3;2H2,1H3/p+1
InChIKeyOFOJOAAGXHLDRE-UHFFFAOYSA-O
XLogP2.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
CID 126958731
N-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyridin-1-ium-1-yl]acetamide;methanol;yttrium
CID 155692700
N-(2,6-dimethylphenyl)-2-[3-(dimethylsulfamoyl)pyridin-1-ium-1-yl]acetamide
CID 155615257
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397
N-(2,6-dimethylphenyl)-2-(3-methyl-2-propylpyrazol-1-ium-1-yl)acetamide
CID 155692487
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
2-(3-hydroxypyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8751323
N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 7654950
N-(2,6-dimethylphenyl)but-3-enamide
CID 90820575

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane?
The IUPAC name of N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane (CID 155692493) is N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane is CP.Cc1cccc(C)c1NC(=O)C[n+]1cc2ccccn2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane?
The InChIKey is OFOJOAAGXHLDRE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17N3O.CH5P/c1-13-6-5-7-14(2)17(13)18-16(21)11-19-10-15-8-3-4-9-20(15)12-19;1-2/h3-10,12H,11H2,1-2H3;2H2,1H3/p+1.
What are the key properties of N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane?
N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane has a molecular weight of 328.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-imidazo[1,5-a]pyridin-2-ium-2-ylacetamide;methylphosphane is sourced from PubChem (CID 155692493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).