6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide

C14H20N4O2 — CID 77005377

IUPAC6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CC(C)CN(C(=O)c2ccc(C(N)=NO)cn2)C1
InChIInChI=1S/C14H20N4O2/c1-9-5-10(2)8-18(7-9)14(19)12-4-3-11(6-16-12)13(15)17-20/h3-4,6,9-10,20H,5,7-8H2,1-2H3,(H2,15,17)
InChIKeyPVYNPHGVLKORBQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.29
Rot. Bonds2

About 6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide

6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 77005377) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID77005377
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CC(C)CN(C(=O)c2ccc(C(N)=NO)cn2)C1
InChIInChI=1S/C14H20N4O2/c1-9-5-10(2)8-18(7-9)14(19)12-4-3-11(6-16-12)13(15)17-20/h3-4,6,9-10,20H,5,7-8H2,1-2H3,(H2,15,17)
InChIKeyPVYNPHGVLKORBQ-UHFFFAOYSA-N
XLogP1.29
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.29
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-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide (CID 77005377) is 6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide is CC1CC(C)CN(C(=O)c2ccc(C(N)=NO)cn2)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is PVYNPHGVLKORBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-5-10(2)8-18(7-9)14(19)12-4-3-11(6-16-12)13(15)17-20/h3-4,6,9-10,20H,5,7-8H2,1-2H3,(H2,15,17).
What are the key properties of 6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide?
6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 276.34 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 77005377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).