N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide

C7H10N4O — CID 155272131

IUPACN'-hydroxy-2-(methylamino)pyridine-4-carboximidamide
SMILESCNc1cc(/C(N)=N/O)ccn1
InChIInChI=1S/C7H10N4O/c1-9-6-4-5(2-3-10-6)7(8)11-12/h2-4,12H,1H3,(H2,8,11)(H,9,10)
InChIKeyMSFPDUDDYZDTMU-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.22
Rot. Bonds2

About N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide

N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide (PubChem CID 155272131) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(methylamino)pyridine-4-carboximidamide
PubChem CID155272131
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC NameN'-hydroxy-2-(methylamino)pyridine-4-carboximidamide
SMILESCNc1cc(/C(N)=N/O)ccn1
InChIInChI=1S/C7H10N4O/c1-9-6-4-5(2-3-10-6)7(8)11-12/h2-4,12H,1H3,(H2,8,11)(H,9,10)
InChIKeyMSFPDUDDYZDTMU-UHFFFAOYSA-N
XLogP0.22
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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'-hydroxy-2-(methylamino)pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide (CID 155272131) is N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide is CNc1cc(/C(N)=N/O)ccn1.
What is the InChIKey of N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide?
The InChIKey is MSFPDUDDYZDTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-9-6-4-5(2-3-10-6)7(8)11-12/h2-4,12H,1H3,(H2,8,11)(H,9,10).
What are the key properties of N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide?
N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide has a molecular weight of 166.18 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide is sourced from PubChem (CID 155272131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).