ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium

C17H22N3O2Y- — CID 177235342

IUPACethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium
SMILESCC.Cc1[c-]cc(-n2ccc(N3CCOCC3)cc2=O)nc1.[Y]
InChIInChI=1S/C15H16N3O2.C2H6.Y/c1-12-2-3-14(16-11-12)18-5-4-13(10-15(18)19)17-6-8-20-9-7-17;1-2;/h3-5,10-11H,6-9H2,1H3;1-2H3;/q-1;;
InChIKeyWEUMXVSVZJLOCD-UHFFFAOYSA-N
MW389.29 g/mol
LogP2.20
Rot. Bonds2

About ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium

ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium (PubChem CID 177235342) has the molecular formula C17H22N3O2Y- and a molecular weight of 389.29 g/mol. Its IUPAC name is ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium.

Molecular Properties

Compound Nameethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium
PubChem CID177235342
Molecular FormulaC17H22N3O2Y-
Molecular Weight389.29 g/mol
Exact Mass389.08
IUPAC Nameethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium
SMILESCC.Cc1[c-]cc(-n2ccc(N3CCOCC3)cc2=O)nc1.[Y]
InChIInChI=1S/C15H16N3O2.C2H6.Y/c1-12-2-3-14(16-11-12)18-5-4-13(10-15(18)19)17-6-8-20-9-7-17;1-2;/h3-5,10-11H,6-9H2,1H3;1-2H3;/q-1;;
InChIKeyWEUMXVSVZJLOCD-UHFFFAOYSA-N
XLogP2.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium?
The IUPAC name of ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium (CID 177235342) is ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium.
What is the SMILES notation for ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium?
The canonical SMILES for ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium is CC.Cc1[c-]cc(-n2ccc(N3CCOCC3)cc2=O)nc1.[Y].
What is the InChIKey of ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium?
The InChIKey is WEUMXVSVZJLOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N3O2.C2H6.Y/c1-12-2-3-14(16-11-12)18-5-4-13(10-15(18)19)17-6-8-20-9-7-17;1-2;/h3-5,10-11H,6-9H2,1H3;1-2H3;/q-1;;.
What are the key properties of ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium?
ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium has a molecular weight of 389.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium is sourced from PubChem (CID 177235342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).