2-(6-methyl-3-pyridinyl)-2-oxoacetamide

C8H8N2O2 — CID 57047401

IUPAC2-(6-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(N)=O)cn1
InChIInChI=1S/C8H8N2O2/c1-5-2-3-6(4-10-5)7(11)8(9)12/h2-4H,1H3,(H2,9,12)
InChIKeyMCMMXZBUBBVRME-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.06
Rot. Bonds2

About 2-(6-methyl-3-pyridinyl)-2-oxoacetamide

2-(6-methyl-3-pyridinyl)-2-oxoacetamide (PubChem CID 57047401) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-2-oxoacetamide
PubChem CID57047401
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2-(6-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(N)=O)cn1
InChIInChI=1S/C8H8N2O2/c1-5-2-3-6(4-10-5)7(11)8(9)12/h2-4H,1H3,(H2,9,12)
InChIKeyMCMMXZBUBBVRME-UHFFFAOYSA-N
XLogP0.06
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
CID 112574268
N-(aminomethylidene)-6-methylpyridine-3-carboxamide
CID 142112843
ethane;6-methylpyridine-3-carbothioamide
CID 143699561
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178
2-methylidene-1-(6-methyl-3-pyridinyl)heptan-1-one
CID 145497617
6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82723958
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
1-(6-methyl-3-pyridinyl)ethanethione
CID 56619669
2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
CID 82596607
2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
CID 103455104
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-2-oxoacetamide (CID 57047401) is 2-(6-methyl-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-2-oxoacetamide is Cc1ccc(C(=O)C(N)=O)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-2-oxoacetamide?
The InChIKey is MCMMXZBUBBVRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5-2-3-6(4-10-5)7(11)8(9)12/h2-4H,1H3,(H2,9,12).
What are the key properties of 2-(6-methyl-3-pyridinyl)-2-oxoacetamide?
2-(6-methyl-3-pyridinyl)-2-oxoacetamide has a molecular weight of 164.16 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 57047401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).