5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten

C10H11N2O2W-3 — CID 166112470

IUPAC5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten
SMILESCc1cc[c-]nc1.[CH2-]CC(=O)N[C-]=O.[W]
InChIInChI=1S/C6H6N.C4H5NO2.W/c1-6-3-2-4-7-5-6;1-2-4(7)5-3-6;/h2-3,5H,1H3;1-2H2,(H,5,6,7);/q-1;-2;
InChIKeyKCELNFQLVOKGJL-UHFFFAOYSA-N
MW375.05 g/mol
LogP0.58
Rot. Bonds2

About 5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten

5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten (PubChem CID 166112470) has the molecular formula C10H11N2O2W-3 and a molecular weight of 375.05 g/mol. Its IUPAC name is 5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten.

Molecular Properties

Compound Name5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten
PubChem CID166112470
Molecular FormulaC10H11N2O2W-3
Molecular Weight375.05 g/mol
Exact Mass375.03
IUPAC Name5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten
SMILESCc1cc[c-]nc1.[CH2-]CC(=O)N[C-]=O.[W]
InChIInChI=1S/C6H6N.C4H5NO2.W/c1-6-3-2-4-7-5-6;1-2-4(7)5-3-6;/h2-3,5H,1H3;1-2H2,(H,5,6,7);/q-1;-2;
InChIKeyKCELNFQLVOKGJL-UHFFFAOYSA-N
XLogP0.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.05
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten?
The IUPAC name of 5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten (CID 166112470) is 5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten.
What is the SMILES notation for 5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten?
The canonical SMILES for 5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten is Cc1cc[c-]nc1.[CH2-]CC(=O)N[C-]=O.[W].
What is the InChIKey of 5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten?
The InChIKey is KCELNFQLVOKGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.C4H5NO2.W/c1-6-3-2-4-7-5-6;1-2-4(7)5-3-6;/h2-3,5H,1H3;1-2H2,(H,5,6,7);/q-1;-2;.
What are the key properties of 5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten?
5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten has a molecular weight of 375.05 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-pyridin-2-ide;N-(oxomethyl)propanamide;tungsten is sourced from PubChem (CID 166112470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).