(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide

C20H19N2O3+ — CID 8773410

IUPAC(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1
InChIInChI=1S/C20H18N2O3/c1-15(22-13-5-6-17(23)14-22)20(24)21-16-9-11-19(12-10-16)25-18-7-3-2-4-8-18/h2-15H,1H3,(H-,21,23,24)/p+1/t15-/m1/s1
InChIKeyAYEUBNBATNJSQU-OAHLLOKOSA-O
MW335.38 g/mol
LogP3.67
Rot. Bonds5

About (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide

(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide (PubChem CID 8773410) has the molecular formula C20H19N2O3+ and a molecular weight of 335.38 g/mol. Its IUPAC name is (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide
PubChem CID8773410
Molecular FormulaC20H19N2O3+
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1
InChIInChI=1S/C20H18N2O3/c1-15(22-13-5-6-17(23)14-22)20(24)21-16-9-11-19(12-10-16)25-18-7-3-2-4-8-18/h2-15H,1H3,(H-,21,23,24)/p+1/t15-/m1/s1
InChIKeyAYEUBNBATNJSQU-OAHLLOKOSA-O
XLogP3.67
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.67
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

(2S)-N-(9,10-dioxoanthracen-2-yl)-2-(3-hydroxypyridin-1-ium-1-yl)propanamide
CID 8773614
(2S)-2-(3-acetylpyridin-1-ium-1-yl)-N-phenylpropanamide
CID 8830820
(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 8773605
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8791759
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-hydroxybenzoate
CID 2394055
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide
CID 8771908
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
2-bromo-N-(4-phenoxyphenyl)butanamide
CID 63463042
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide (CID 8773410) is (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide is C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[n+]1cccc(O)c1.
What is the InChIKey of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is AYEUBNBATNJSQU-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H18N2O3/c1-15(22-13-5-6-17(23)14-22)20(24)21-16-9-11-19(12-10-16)25-18-7-3-2-4-8-18/h2-15H,1H3,(H-,21,23,24)/p+1/t15-/m1/s1.
What are the key properties of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide?
(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 335.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 8773410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).