N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide

C22H21N2O+ — CID 155615363

IUPACN-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1cccc(-c2ccccc2)c1)Nc1cccc2c1CCC2
InChIInChI=1S/C22H20N2O/c25-22(23-21-13-5-10-18-9-4-12-20(18)21)16-24-14-6-11-19(15-24)17-7-2-1-3-8-17/h1-3,5-8,10-11,13-15H,4,9,12,16H2/p+1
InChIKeySFTKXCSITPEHGB-UHFFFAOYSA-O
MW329.42 g/mol
LogP3.77
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide

N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide (PubChem CID 155615363) has the molecular formula C22H21N2O+ and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
PubChem CID155615363
Molecular FormulaC22H21N2O+
Molecular Weight329.42 g/mol
Exact Mass329.16
IUPAC NameN-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1cccc(-c2ccccc2)c1)Nc1cccc2c1CCC2
InChIInChI=1S/C22H20N2O/c25-22(23-21-13-5-10-18-9-4-12-20(18)21)16-24-14-6-11-19(15-24)17-7-2-1-3-8-17/h1-3,5-8,10-11,13-15H,4,9,12,16H2/p+1
InChIKeySFTKXCSITPEHGB-UHFFFAOYSA-O
XLogP3.77
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8876646
N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876602
2-(3-phenylpyridin-1-ium-1-yl)-N-propan-2-ylacetamide
CID 8876238
N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876537
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876592
N-(2-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 55345448
5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 17435174
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
2-(3-fluorophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 26515848

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide (CID 155615363) is N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide is O=C(C[n+]1cccc(-c2ccccc2)c1)Nc1cccc2c1CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The InChIKey is SFTKXCSITPEHGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H20N2O/c25-22(23-21-13-5-10-18-9-4-12-20(18)21)16-24-14-6-11-19(15-24)17-7-2-1-3-8-17/h1-3,5-8,10-11,13-15H,4,9,12,16H2/p+1.
What are the key properties of N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide has a molecular weight of 329.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-4-yl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 155615363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).