5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide

C8H10N2O3 — CID 63850514

IUPAC5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1cncc(O)c1
InChIInChI=1S/C8H10N2O3/c1-10(13-2)8(12)6-3-7(11)5-9-4-6/h3-5,11H,1-2H3
InChIKeyAGCBWHOCPUDGQY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.42
Rot. Bonds2

About 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide

5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 63850514) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide
PubChem CID63850514
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1cncc(O)c1
InChIInChI=1S/C8H10N2O3/c1-10(13-2)8(12)6-3-7(11)5-9-4-6/h3-5,11H,1-2H3
InChIKeyAGCBWHOCPUDGQY-UHFFFAOYSA-N
XLogP0.42
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide (CID 63850514) is 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide is CON(C)C(=O)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is AGCBWHOCPUDGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10(13-2)8(12)6-3-7(11)5-9-4-6/h3-5,11H,1-2H3.
What are the key properties of 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide?
5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 182.18 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 63850514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).