4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one

C8H11N3O — CID 176566776

IUPAC4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one
SMILES[H]/N=C(\C)c1c(N)cc(C)[nH]c1=O
InChIInChI=1S/C8H11N3O/c1-4-3-6(10)7(5(2)9)8(12)11-4/h3,9H,1-2H3,(H3,10,11,12)/b9-5+
InChIKeyCYEKHIMNPFAOIR-WEVVVXLNSA-N
MW165.20 g/mol
LogP0.65
Rot. Bonds1

About 4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one

4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one (PubChem CID 176566776) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one
PubChem CID176566776
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one
SMILES[H]/N=C(\C)c1c(N)cc(C)[nH]c1=O
InChIInChI=1S/C8H11N3O/c1-4-3-6(10)7(5(2)9)8(12)11-4/h3,9H,1-2H3,(H3,10,11,12)/b9-5+
InChIKeyCYEKHIMNPFAOIR-WEVVVXLNSA-N
XLogP0.65
TPSA82.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one (CID 176566776) is 4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one is [H]/N=C(\C)c1c(N)cc(C)[nH]c1=O.
What is the InChIKey of 4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one?
The InChIKey is CYEKHIMNPFAOIR-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H11N3O/c1-4-3-6(10)7(5(2)9)8(12)11-4/h3,9H,1-2H3,(H3,10,11,12)/b9-5+.
What are the key properties of 4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one?
4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 176566776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).