2-methyl-6-oxo-1H-pyridine-4-carboximidamide

C7H9N3O — CID 68873396

IUPAC2-methyl-6-oxo-1H-pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C7H9N3O/c1-4-2-5(7(8)9)3-6(11)10-4/h2-3H,1H3,(H3,8,9)(H,10,11)
InChIKeyLUMFLFJTDOLUOB-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.03
Rot. Bonds1

About 2-methyl-6-oxo-1H-pyridine-4-carboximidamide

2-methyl-6-oxo-1H-pyridine-4-carboximidamide (PubChem CID 68873396) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-methyl-6-oxo-1H-pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-6-oxo-1H-pyridine-4-carboximidamide
PubChem CID68873396
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-methyl-6-oxo-1H-pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C7H9N3O/c1-4-2-5(7(8)9)3-6(11)10-4/h2-3H,1H3,(H3,8,9)(H,10,11)
InChIKeyLUMFLFJTDOLUOB-UHFFFAOYSA-N
XLogP-0.03
TPSA82.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-1H-pyridine-4-carboximidamide?
The IUPAC name of 2-methyl-6-oxo-1H-pyridine-4-carboximidamide (CID 68873396) is 2-methyl-6-oxo-1H-pyridine-4-carboximidamide.
What is the SMILES notation for 2-methyl-6-oxo-1H-pyridine-4-carboximidamide?
The canonical SMILES for 2-methyl-6-oxo-1H-pyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)[nH]c(=O)c1.
What is the InChIKey of 2-methyl-6-oxo-1H-pyridine-4-carboximidamide?
The InChIKey is LUMFLFJTDOLUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-4-2-5(7(8)9)3-6(11)10-4/h2-3H,1H3,(H3,8,9)(H,10,11).
What are the key properties of 2-methyl-6-oxo-1H-pyridine-4-carboximidamide?
2-methyl-6-oxo-1H-pyridine-4-carboximidamide has a molecular weight of 151.17 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-1H-pyridine-4-carboximidamide is sourced from PubChem (CID 68873396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).