N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide

C12H18N4O — CID 24698019

IUPACN'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide
SMILESCC1CCCN(c2ncccc2/C(N)=N/O)C1
InChIInChI=1S/C12H18N4O/c1-9-4-3-7-16(8-9)12-10(11(13)15-17)5-2-6-14-12/h2,5-6,9,17H,3-4,7-8H2,1H3,(H2,13,15)
InChIKeyKOOAONFBASCFSV-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.41
Rot. Bonds2

About N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide

N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide (PubChem CID 24698019) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide
PubChem CID24698019
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide
SMILESCC1CCCN(c2ncccc2/C(N)=N/O)C1
InChIInChI=1S/C12H18N4O/c1-9-4-3-7-16(8-9)12-10(11(13)15-17)5-2-6-14-12/h2,5-6,9,17H,3-4,7-8H2,1H3,(H2,13,15)
InChIKeyKOOAONFBASCFSV-UHFFFAOYSA-N
XLogP1.41
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.41
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 N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide (CID 24698019) is N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide is CC1CCCN(c2ncccc2/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide?
The InChIKey is KOOAONFBASCFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-4-3-7-16(8-9)12-10(11(13)15-17)5-2-6-14-12/h2,5-6,9,17H,3-4,7-8H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide?
N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 24698019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).