2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide

C9H12N2O4 — CID 3252698

IUPAC2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(CCO)c(O)c1C(N)=O
InChIInChI=1S/C9H12N2O4/c1-5-4-6(13)11(2-3-12)9(15)7(5)8(10)14/h4,12,15H,2-3H2,1H3,(H2,10,14)
InChIKeyWFQXWQZASUESPP-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.05
Rot. Bonds3

About 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide

2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide (PubChem CID 3252698) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide
PubChem CID3252698
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(CCO)c(O)c1C(N)=O
InChIInChI=1S/C9H12N2O4/c1-5-4-6(13)11(2-3-12)9(15)7(5)8(10)14/h4,12,15H,2-3H2,1H3,(H2,10,14)
InChIKeyWFQXWQZASUESPP-UHFFFAOYSA-N
XLogP-1.05
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide (CID 3252698) is 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide is Cc1cc(=O)n(CCO)c(O)c1C(N)=O.
What is the InChIKey of 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is WFQXWQZASUESPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5-4-6(13)11(2-3-12)9(15)7(5)8(10)14/h4,12,15H,2-3H2,1H3,(H2,10,14).
What are the key properties of 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide?
2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 212.20 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 3252698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).