3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one

C8H11N3O — CID 168895543

IUPAC3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one
SMILESC/N=C/c1cc(C)[nH]c(=O)c1N
InChIInChI=1S/C8H11N3O/c1-5-3-6(4-10-2)7(9)8(12)11-5/h3-4H,9H2,1-2H3,(H,11,12)/b10-4+
InChIKeyUPXHFXOPPHLDIL-ONNFQVAWSA-N
MW165.20 g/mol
LogP0.31
Rot. Bonds1

About 3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one

3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one (PubChem CID 168895543) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one
PubChem CID168895543
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one
SMILESC/N=C/c1cc(C)[nH]c(=O)c1N
InChIInChI=1S/C8H11N3O/c1-5-3-6(4-10-2)7(9)8(12)11-5/h3-4H,9H2,1-2H3,(H,11,12)/b10-4+
InChIKeyUPXHFXOPPHLDIL-ONNFQVAWSA-N
XLogP0.31
TPSA71.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.31
H-Bond Donors ≤ 52
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 3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one (CID 168895543) is 3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one is C/N=C/c1cc(C)[nH]c(=O)c1N.
What is the InChIKey of 3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one?
The InChIKey is UPXHFXOPPHLDIL-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-3-6(4-10-2)7(9)8(12)11-5/h3-4H,9H2,1-2H3,(H,11,12)/b10-4+.
What are the key properties of 3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one?
3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-4-(methyliminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 168895543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).