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

C15H17N2O3+ — CID 8773631

IUPAC(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)[n+]1cccc(O)c1
InChIInChI=1S/C15H16N2O3/c1-11(17-9-5-6-12(18)10-17)15(19)16-13-7-3-4-8-14(13)20-2/h3-11H,1-2H3,(H-,16,18,19)/p+1/t11-/m1/s1
InChIKeyIEQZRZJZRLOVNC-LLVKDONJSA-O
MW273.31 g/mol
LogP1.89
Rot. Bonds4

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

(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 8773631) has the molecular formula C15H17N2O3+ and a molecular weight of 273.31 g/mol. Its IUPAC name is (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID8773631
Molecular FormulaC15H17N2O3+
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)[n+]1cccc(O)c1
InChIInChI=1S/C15H16N2O3/c1-11(17-9-5-6-12(18)10-17)15(19)16-13-7-3-4-8-14(13)20-2/h3-11H,1-2H3,(H-,16,18,19)/p+1/t11-/m1/s1
InChIKeyIEQZRZJZRLOVNC-LLVKDONJSA-O
XLogP1.89
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.89
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

(2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
CID 8717738
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 82114035
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483574
(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide
CID 97234739
(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
CID 40794639
2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide
CID 134349346
2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide (CID 8773631) is (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@@H](C)[n+]1cccc(O)c1.
What is the InChIKey of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is IEQZRZJZRLOVNC-LLVKDONJSA-O. The full InChI is InChI=1S/C15H16N2O3/c1-11(17-9-5-6-12(18)10-17)15(19)16-13-7-3-4-8-14(13)20-2/h3-11H,1-2H3,(H-,16,18,19)/p+1/t11-/m1/s1.
What are the key properties of (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide?
(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 273.31 g/mol, XLogP of 1.89, 4 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-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 8773631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).