4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide

C7H8N2O2 — CID 131708464

IUPAC4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])n1ccc(=O)c(C(N)=O)c1
InChIInChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)/i1D3
InChIKeyKTLRWTOPTKGYQY-FIBGUPNXSA-N
MW155.17 g/mol
LogP-0.52
Rot. Bonds2

About 4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide

4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 131708464) has the molecular formula C7H8N2O2 and a molecular weight of 155.17 g/mol. Its IUPAC name is 4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID131708464
Molecular FormulaC7H8N2O2
Molecular Weight155.17 g/mol
Exact Mass155.08
IUPAC Name4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])n1ccc(=O)c(C(N)=O)c1
InChIInChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)/i1D3
InChIKeyKTLRWTOPTKGYQY-FIBGUPNXSA-N
XLogP-0.52
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide (CID 131708464) is 4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])n1ccc(=O)c(C(N)=O)c1.
What is the InChIKey of 4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is KTLRWTOPTKGYQY-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)/i1D3.
What are the key properties of 4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide?
4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 155.17 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 131708464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).