1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide

C9H12N2O4 — CID 134278029

IUPAC1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide
SMILESCOC(CO)n1cccc(C(N)=O)c1=O
InChIInChI=1S/C9H12N2O4/c1-15-7(5-12)11-4-2-3-6(8(10)13)9(11)14/h2-4,7,12H,5H2,1H3,(H2,10,13)
InChIKeyIPXRNULVERNMNH-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.92
Rot. Bonds4

About 1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide

1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide (PubChem CID 134278029) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide
PubChem CID134278029
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide
SMILESCOC(CO)n1cccc(C(N)=O)c1=O
InChIInChI=1S/C9H12N2O4/c1-15-7(5-12)11-4-2-3-6(8(10)13)9(11)14/h2-4,7,12H,5H2,1H3,(H2,10,13)
InChIKeyIPXRNULVERNMNH-UHFFFAOYSA-N
XLogP-0.92
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide (CID 134278029) is 1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide is COC(CO)n1cccc(C(N)=O)c1=O.
What is the InChIKey of 1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide?
The InChIKey is IPXRNULVERNMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-15-7(5-12)11-4-2-3-6(8(10)13)9(11)14/h2-4,7,12H,5H2,1H3,(H2,10,13).
What are the key properties of 1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide?
1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 134278029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).