N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide

C22H21N2O3+ — CID 3623487

IUPACN-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1)NCCO
InChIInChI=1S/C22H20N2O3/c25-15-12-23-21(26)16-24-13-10-20(11-14-24)22(27)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,13-14,25H,12,15-16H2/p+1
InChIKeyIOAGFSCXHXMDKH-UHFFFAOYSA-O
MW361.42 g/mol
LogP1.98
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide

N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide (PubChem CID 3623487) has the molecular formula C22H21N2O3+ and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
PubChem CID3623487
Molecular FormulaC22H21N2O3+
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC NameN-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
SMILESO=C(C[n+]1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1)NCCO
InChIInChI=1S/C22H20N2O3/c25-15-12-23-21(26)16-24-13-10-20(11-14-24)22(27)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,13-14,25H,12,15-16H2/p+1
InChIKeyIOAGFSCXHXMDKH-UHFFFAOYSA-O
XLogP1.98
TPSA70.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide
CID 4178019
2-(4-phenylpyridin-1-ium-1-yl)-N-[2-[2-[2-[2-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 22889790
2-(4-phenylpyridin-1-ium-1-yl)-N-[3-[3-[[2-(4-phenylpyridin-1-ium-1-yl)acetyl]amino]propoxy]propyl]acetamide
CID 23386947
2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide
CID 7529013
2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 8858174
N-(3-ethoxypropyl)-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 20771800
phenyl-(4-phenylphenyl)methanone
CID 155775877
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8858863
N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
CID 13133471
2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8859319
2-(4-aminopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide
CID 46786462

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide (CID 3623487) is N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide is O=C(C[n+]1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide?
The InChIKey is IOAGFSCXHXMDKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H20N2O3/c25-15-12-23-21(26)16-24-13-10-20(11-14-24)22(27)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-11,13-14,25H,12,15-16H2/p+1.
What are the key properties of N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide has a molecular weight of 361.42 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-(4-phenylbenzoyl)pyridin-1-ium-1-yl]acetamide is sourced from PubChem (CID 3623487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).