N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide

C22H18N4O2 — CID 56658214

IUPACN-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1cccnc1)c1cccnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C22H18N4O2/c27-26-21(25-15-16-5-3-11-23-14-16)20-8-4-12-24-22(20)28-19-10-9-17-6-1-2-7-18(17)13-19/h1-14,27H,15H2,(H,25,26)
InChIKeyDPZYIPHKGRNNNK-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.35
Rot. Bonds5

About N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide

N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide (PubChem CID 56658214) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide
PubChem CID56658214
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide
SMILESON/C(=N\Cc1cccnc1)c1cccnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C22H18N4O2/c27-26-21(25-15-16-5-3-11-23-14-16)20-8-4-12-24-22(20)28-19-10-9-17-6-1-2-7-18(17)13-19/h1-14,27H,15H2,(H,25,26)
InChIKeyDPZYIPHKGRNNNK-UHFFFAOYSA-N
XLogP4.35
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.35
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide (CID 56658214) is N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide is ON/C(=N\Cc1cccnc1)c1cccnc1Oc1ccc2ccccc2c1.
What is the InChIKey of N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide?
The InChIKey is DPZYIPHKGRNNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-26-21(25-15-16-5-3-11-23-14-16)20-8-4-12-24-22(20)28-19-10-9-17-6-1-2-7-18(17)13-19/h1-14,27H,15H2,(H,25,26).
What are the key properties of N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide?
N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide has a molecular weight of 370.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-naphthalen-2-yloxy-N'-(pyridin-3-ylmethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 56658214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).