5-acetyl-3-amino-6-methyl-1H-pyridin-2-one

C8H10N2O2 — CID 10012268

IUPAC5-acetyl-3-amino-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(N)c(=O)[nH]c1C
InChIInChI=1S/C8H10N2O2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,9H2,1-2H3,(H,10,12)
InChIKeyDQNITJUQGIPPCF-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.47
Rot. Bonds1

About 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one

5-acetyl-3-amino-6-methyl-1H-pyridin-2-one (PubChem CID 10012268) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-3-amino-6-methyl-1H-pyridin-2-one
PubChem CID10012268
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-acetyl-3-amino-6-methyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(N)c(=O)[nH]c1C
InChIInChI=1S/C8H10N2O2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,9H2,1-2H3,(H,10,12)
InChIKeyDQNITJUQGIPPCF-UHFFFAOYSA-N
XLogP0.47
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one (CID 10012268) is 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one is CC(=O)c1cc(N)c(=O)[nH]c1C.
What is the InChIKey of 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one?
The InChIKey is DQNITJUQGIPPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,9H2,1-2H3,(H,10,12).
What are the key properties of 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one?
5-acetyl-3-amino-6-methyl-1H-pyridin-2-one has a molecular weight of 166.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-amino-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 10012268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).