N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide

C12H12N4O — CID 136966618

IUPACN-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide
SMILESNN/C(=N\c1ccccc1)c1c[nH]ccc1=O
InChIInChI=1S/C12H12N4O/c13-16-12(10-8-14-7-6-11(10)17)15-9-4-2-1-3-5-9/h1-8H,13H2,(H,14,17)(H,15,16)
InChIKeyRDWGQPUWBXAYTJ-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.92
Rot. Bonds2

About N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide

N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide (PubChem CID 136966618) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide
PubChem CID136966618
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC NameN-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide
SMILESNN/C(=N\c1ccccc1)c1c[nH]ccc1=O
InChIInChI=1S/C12H12N4O/c13-16-12(10-8-14-7-6-11(10)17)15-9-4-2-1-3-5-9/h1-8H,13H2,(H,14,17)(H,15,16)
InChIKeyRDWGQPUWBXAYTJ-UHFFFAOYSA-N
XLogP0.92
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide?
The IUPAC name of N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide (CID 136966618) is N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide?
The canonical SMILES for N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide is NN/C(=N\c1ccccc1)c1c[nH]ccc1=O.
What is the InChIKey of N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide?
The InChIKey is RDWGQPUWBXAYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-16-12(10-8-14-7-6-11(10)17)15-9-4-2-1-3-5-9/h1-8H,13H2,(H,14,17)(H,15,16).
What are the key properties of N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide?
N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide has a molecular weight of 228.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 136966618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).