1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium

C10H10N2O2WY-2 — CID 59654137

IUPAC1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium
SMILESCC(=O)c1cnc(CN[C-]=O)[c-]c1C.[W].[Y]
InChIInChI=1S/C10H10N2O2.W.Y/c1-7-3-9(4-11-6-13)12-5-10(7)8(2)14;;/h5H,4H2,1-2H3,(H,11,13);;/q-2;;
InChIKeyFPJIZVRMGYNJTN-UHFFFAOYSA-N
MW462.95 g/mol
LogP0.54
Rot. Bonds4

About 1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium

1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium (PubChem CID 59654137) has the molecular formula C10H10N2O2WY-2 and a molecular weight of 462.95 g/mol. Its IUPAC name is 1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium.

Molecular Properties

Compound Name1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium
PubChem CID59654137
Molecular FormulaC10H10N2O2WY-2
Molecular Weight462.95 g/mol
Exact Mass462.93
IUPAC Name1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium
SMILESCC(=O)c1cnc(CN[C-]=O)[c-]c1C.[W].[Y]
InChIInChI=1S/C10H10N2O2.W.Y/c1-7-3-9(4-11-6-13)12-5-10(7)8(2)14;;/h5H,4H2,1-2H3,(H,11,13);;/q-2;;
InChIKeyFPJIZVRMGYNJTN-UHFFFAOYSA-N
XLogP0.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.95
LogP ≤ 50.54
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 1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium?
The IUPAC name of 1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium (CID 59654137) is 1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium.
What is the SMILES notation for 1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium?
The canonical SMILES for 1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium is CC(=O)c1cnc(CN[C-]=O)[c-]c1C.[W].[Y].
What is the InChIKey of 1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium?
The InChIKey is FPJIZVRMGYNJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.W.Y/c1-7-3-9(4-11-6-13)12-5-10(7)8(2)14;;/h5H,4H2,1-2H3,(H,11,13);;/q-2;;.
What are the key properties of 1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium?
1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium has a molecular weight of 462.95 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(oxomethylamino)methyl]-3H-pyridin-3-id-5-yl]ethanone;tungsten;yttrium is sourced from PubChem (CID 59654137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).