N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+))

C7H8N2O2Rb2 — CID 155582833

IUPACN-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+))
SMILESCNC(=O)C1=C[N-]C[CH-]C1=O.[Rb+].[Rb+]
InChIInChI=1S/C7H9N2O2.2Rb/c1-8-7(11)5-4-9-3-2-6(5)10;;/h2,4H,3H2,1H3,(H2,8,9,10,11);;/q-1;2*+1/p-1
InChIKeyMLRGPRTYBXTSGG-UHFFFAOYSA-M
MW323.09 g/mol
LogP-6.22
Rot. Bonds1

About N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+))

N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+)) (PubChem CID 155582833) has the molecular formula C7H8N2O2Rb2 and a molecular weight of 323.09 g/mol. Its IUPAC name is N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+)).

Molecular Properties

Compound NameN-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+))
PubChem CID155582833
Molecular FormulaC7H8N2O2Rb2
Molecular Weight323.09 g/mol
Exact Mass321.88
IUPAC NameN-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+))
SMILESCNC(=O)C1=C[N-]C[CH-]C1=O.[Rb+].[Rb+]
InChIInChI=1S/C7H9N2O2.2Rb/c1-8-7(11)5-4-9-3-2-6(5)10;;/h2,4H,3H2,1H3,(H2,8,9,10,11);;/q-1;2*+1/p-1
InChIKeyMLRGPRTYBXTSGG-UHFFFAOYSA-M
XLogP-6.22
TPSA60.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 5-6.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+))?
The IUPAC name of N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+)) (CID 155582833) is N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+)).
What is the SMILES notation for N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+))?
The canonical SMILES for N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+)) is CNC(=O)C1=C[N-]C[CH-]C1=O.[Rb+].[Rb+].
What is the InChIKey of N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+))?
The InChIKey is MLRGPRTYBXTSGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9N2O2.2Rb/c1-8-7(11)5-4-9-3-2-6(5)10;;/h2,4H,3H2,1H3,(H2,8,9,10,11);;/q-1;2*+1/p-1.
What are the key properties of N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+))?
N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+)) has a molecular weight of 323.09 g/mol, XLogP of -6.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-2,3-dihydropyridine-1,3-diide-5-carboxamide;bis(rubidium(1+)) is sourced from PubChem (CID 155582833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).