(2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide

C16H19N2O2+ — CID 8717738

IUPAC(2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)[n+]1ccccc1C
InChIInChI=1S/C16H18N2O2/c1-12-8-6-7-11-18(12)13(2)16(19)17-14-9-4-5-10-15(14)20-3/h4-11,13H,1-3H3/p+1/t13-/m1/s1
InChIKeyPXANJQQRIVNGOM-CYBMUJFWSA-O
MW271.34 g/mol
LogP2.49
Rot. Bonds4

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

(2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide (PubChem CID 8717738) has the molecular formula C16H19N2O2+ and a molecular weight of 271.34 g/mol. Its IUPAC name is (2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
PubChem CID8717738
Molecular FormulaC16H19N2O2+
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)[n+]1ccccc1C
InChIInChI=1S/C16H18N2O2/c1-12-8-6-7-11-18(12)13(2)16(19)17-14-9-4-5-10-15(14)20-3/h4-11,13H,1-3H3/p+1/t13-/m1/s1
InChIKeyPXANJQQRIVNGOM-CYBMUJFWSA-O
XLogP2.49
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
CID 8717542
(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide
CID 8773631
(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
(2S)-2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2-methoxyphenyl)propanamide
CID 8855521
(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
(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 2475334
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide (CID 8717738) is (2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide is COc1ccccc1NC(=O)[C@@H](C)[n+]1ccccc1C.
What is the InChIKey of (2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide?
The InChIKey is PXANJQQRIVNGOM-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H18N2O2/c1-12-8-6-7-11-18(12)13(2)16(19)17-14-9-4-5-10-15(14)20-3/h4-11,13H,1-3H3/p+1/t13-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide?
(2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide has a molecular weight of 271.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide is sourced from PubChem (CID 8717738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).