2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide

C7H10N2O — CID 166542377

IUPAC2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide
SMILES[2H]C1=C([2H])N(C)C([2H])C(C(N)=O)=C1
InChIInChI=1S/C7H10N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-4H,5H2,1H3,(H2,8,10)/i2D,4D,5D
InChIKeyCRJFOPZHQMBHNQ-KXXDXSMKSA-N
MW141.19 g/mol
LogP-0.14
Rot. Bonds1

About 2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide

2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide (PubChem CID 166542377) has the molecular formula C7H10N2O and a molecular weight of 141.19 g/mol. Its IUPAC name is 2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide
PubChem CID166542377
Molecular FormulaC7H10N2O
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide
SMILES[2H]C1=C([2H])N(C)C([2H])C(C(N)=O)=C1
InChIInChI=1S/C7H10N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-4H,5H2,1H3,(H2,8,10)/i2D,4D,5D
InChIKeyCRJFOPZHQMBHNQ-KXXDXSMKSA-N
XLogP-0.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide?
The IUPAC name of 2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide (CID 166542377) is 2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide is [2H]C1=C([2H])N(C)C([2H])C(C(N)=O)=C1.
What is the InChIKey of 2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide?
The InChIKey is CRJFOPZHQMBHNQ-KXXDXSMKSA-N. The full InChI is InChI=1S/C7H10N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-4H,5H2,1H3,(H2,8,10)/i2D,4D,5D.
What are the key properties of 2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide?
2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide has a molecular weight of 141.19 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 166542377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).