3-acetyl-2-amino-1H-pyridin-4-one

C7H8N2O2 — CID 1240706

IUPAC3-acetyl-2-amino-1H-pyridin-4-one
SMILESCC(=O)c1c(N)[nH]ccc1=O
InChIInChI=1S/C7H8N2O2/c1-4(10)6-5(11)2-3-9-7(6)8/h2-3H,1H3,(H3,8,9,11)
InChIKeyYNRQVHQKUFZKDH-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.16
Rot. Bonds1

About 3-acetyl-2-amino-1H-pyridin-4-one

3-acetyl-2-amino-1H-pyridin-4-one (PubChem CID 1240706) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-acetyl-2-amino-1H-pyridin-4-one.

Molecular Properties

Compound Name3-acetyl-2-amino-1H-pyridin-4-one
PubChem CID1240706
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3-acetyl-2-amino-1H-pyridin-4-one
SMILESCC(=O)c1c(N)[nH]ccc1=O
InChIInChI=1S/C7H8N2O2/c1-4(10)6-5(11)2-3-9-7(6)8/h2-3H,1H3,(H3,8,9,11)
InChIKeyYNRQVHQKUFZKDH-UHFFFAOYSA-N
XLogP0.16
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-amino-1H-pyridin-4-one?
The IUPAC name of 3-acetyl-2-amino-1H-pyridin-4-one (CID 1240706) is 3-acetyl-2-amino-1H-pyridin-4-one.
What is the SMILES notation for 3-acetyl-2-amino-1H-pyridin-4-one?
The canonical SMILES for 3-acetyl-2-amino-1H-pyridin-4-one is CC(=O)c1c(N)[nH]ccc1=O.
What is the InChIKey of 3-acetyl-2-amino-1H-pyridin-4-one?
The InChIKey is YNRQVHQKUFZKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4(10)6-5(11)2-3-9-7(6)8/h2-3H,1H3,(H3,8,9,11).
What are the key properties of 3-acetyl-2-amino-1H-pyridin-4-one?
3-acetyl-2-amino-1H-pyridin-4-one has a molecular weight of 152.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-amino-1H-pyridin-4-one is sourced from PubChem (CID 1240706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).