N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide

C16H19N5O — CID 24693412

IUPACN'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N5O/c17-15(19-22)14-7-4-8-18-16(14)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-8,22H,9-12H2,(H2,17,19)
InChIKeyYIMHTPJKSBCCPN-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.50
Rot. Bonds3

About N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide

N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide (PubChem CID 24693412) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
PubChem CID24693412
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N5O/c17-15(19-22)14-7-4-8-18-16(14)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-8,22H,9-12H2,(H2,17,19)
InChIKeyYIMHTPJKSBCCPN-UHFFFAOYSA-N
XLogP1.50
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide (CID 24693412) is N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide is N/C(=N\O)c1cccnc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide?
The InChIKey is YIMHTPJKSBCCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c17-15(19-22)14-7-4-8-18-16(14)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-8,22H,9-12H2,(H2,17,19).
What are the key properties of N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide?
N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide has a molecular weight of 297.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 24693412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).