3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium

C11H14N3O3Y- — CID 59771086

IUPAC3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium
SMILESCN(C)C(=O)c1nc2n(c(=O)c1O)CCC[CH-]2.[Y]
InChIInChI=1S/C11H14N3O3.Y/c1-13(2)10(16)8-9(15)11(17)14-6-4-3-5-7(14)12-8;/h5,15H,3-4,6H2,1-2H3;/q-1;
InChIKeyXYVBXCBCYOJKDD-UHFFFAOYSA-N
MW325.16 g/mol
LogP-0.01
Rot. Bonds1

About 3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium

3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium (PubChem CID 59771086) has the molecular formula C11H14N3O3Y- and a molecular weight of 325.16 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium
PubChem CID59771086
Molecular FormulaC11H14N3O3Y-
Molecular Weight325.16 g/mol
Exact Mass325.01
IUPAC Name3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium
SMILESCN(C)C(=O)c1nc2n(c(=O)c1O)CCC[CH-]2.[Y]
InChIInChI=1S/C11H14N3O3.Y/c1-13(2)10(16)8-9(15)11(17)14-6-4-3-5-7(14)12-8;/h5,15H,3-4,6H2,1-2H3;/q-1;
InChIKeyXYVBXCBCYOJKDD-UHFFFAOYSA-N
XLogP-0.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
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 3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium?
The IUPAC name of 3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium (CID 59771086) is 3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium is CN(C)C(=O)c1nc2n(c(=O)c1O)CCC[CH-]2.[Y].
What is the InChIKey of 3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium?
The InChIKey is XYVBXCBCYOJKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N3O3.Y/c1-13(2)10(16)8-9(15)11(17)14-6-4-3-5-7(14)12-8;/h5,15H,3-4,6H2,1-2H3;/q-1;.
What are the key properties of 3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium?
3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium has a molecular weight of 325.16 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-ide-2-carboxamide;yttrium is sourced from PubChem (CID 59771086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).