N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide

C18H17N2O2+ — CID 4745418

IUPACN-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc3ccccc3c2)[nH+]c1
InChIInChI=1S/C18H16N2O2/c1-13-6-9-17(19-11-13)20-18(21)12-22-16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,19,20,21)/p+1
InChIKeyPBRZZRGNZJGPDM-UHFFFAOYSA-O
MW293.35 g/mol
LogP2.98
Rot. Bonds4

About N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide

N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 4745418) has the molecular formula C18H17N2O2+ and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID4745418
Molecular FormulaC18H17N2O2+
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC NameN-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc3ccccc3c2)[nH+]c1
InChIInChI=1S/C18H16N2O2/c1-13-6-9-17(19-11-13)20-18(21)12-22-16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,19,20,21)/p+1
InChIKeyPBRZZRGNZJGPDM-UHFFFAOYSA-O
XLogP2.98
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 2688141
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-(2-chloro-5-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 112811882
N-(2-chloro-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 7926753
2-naphthalen-2-yloxy-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78838178
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
N-(1-methylpyrazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 8810740
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082

Frequently Asked Questions

What is the IUPAC name of N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide (CID 4745418) is N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide is Cc1ccc(NC(=O)COc2ccc3ccccc3c2)[nH+]c1.
What is the InChIKey of N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is PBRZZRGNZJGPDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16N2O2/c1-13-6-9-17(19-11-13)20-18(21)12-22-16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,19,20,21)/p+1.
What are the key properties of N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide?
N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 293.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylpyridin-1-ium-2-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 4745418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).