6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide

C14H16N4O — CID 76930776

IUPAC6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide
SMILESCc1ccc(N(C)c2ccc(C(N)=NO)cn2)cc1
InChIInChI=1S/C14H16N4O/c1-10-3-6-12(7-4-10)18(2)13-8-5-11(9-16-13)14(15)17-19/h3-9,19H,1-2H3,(H2,15,17)
InChIKeyUSBIKUFHXAATJV-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.25
Rot. Bonds3

About 6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide

6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 76930776) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide
PubChem CID76930776
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide
SMILESCc1ccc(N(C)c2ccc(C(N)=NO)cn2)cc1
InChIInChI=1S/C14H16N4O/c1-10-3-6-12(7-4-10)18(2)13-8-5-11(9-16-13)14(15)17-19/h3-9,19H,1-2H3,(H2,15,17)
InChIKeyUSBIKUFHXAATJV-UHFFFAOYSA-N
XLogP2.25
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
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 6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide (CID 76930776) is 6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide is Cc1ccc(N(C)c2ccc(C(N)=NO)cn2)cc1.
What is the InChIKey of 6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is USBIKUFHXAATJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-3-6-12(7-4-10)18(2)13-8-5-11(9-16-13)14(15)17-19/h3-9,19H,1-2H3,(H2,15,17).
What are the key properties of 6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide?
6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 256.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 76930776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).