N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide

C10H14N2O3 — CID 10081839

IUPACN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C10H14N2O3/c1-6-4-9(14)10(15)8(12(6)3)5-11-7(2)13/h4,15H,5H2,1-3H3,(H,11,13)
InChIKeyQGEXLHBUSCYXJR-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.04
Rot. Bonds2

About N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide

N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide (PubChem CID 10081839) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide
PubChem CID10081839
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C10H14N2O3/c1-6-4-9(14)10(15)8(12(6)3)5-11-7(2)13/h4,15H,5H2,1-3H3,(H,11,13)
InChIKeyQGEXLHBUSCYXJR-UHFFFAOYSA-N
XLogP0.04
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide?
The IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide (CID 10081839) is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide?
The canonical SMILES for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide is CC(=O)NCc1c(O)c(=O)cc(C)n1C.
What is the InChIKey of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide?
The InChIKey is QGEXLHBUSCYXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-4-9(14)10(15)8(12(6)3)5-11-7(2)13/h4,15H,5H2,1-3H3,(H,11,13).
What are the key properties of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide?
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide has a molecular weight of 210.23 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 10081839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).