N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide

C27H23N3O4 — CID 56679484

IUPACN'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide
SMILESCC(=O)c1ccc(/N=C(\NO)c2cccnc2Oc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C27H23N3O4/c1-19(31)21-13-15-22(16-14-21)29-26(30-32)23-10-7-17-28-27(23)34-25-12-6-5-11-24(25)33-18-20-8-3-2-4-9-20/h2-17,32H,18H2,1H3,(H,29,30)
InChIKeySOXTZTBINNDHLA-UHFFFAOYSA-N
MW453.50 g/mol
LogP5.71
Rot. Bonds8

About N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide

N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide (PubChem CID 56679484) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide
PubChem CID56679484
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC NameN'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide
SMILESCC(=O)c1ccc(/N=C(\NO)c2cccnc2Oc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C27H23N3O4/c1-19(31)21-13-15-22(16-14-21)29-26(30-32)23-10-7-17-28-27(23)34-25-12-6-5-11-24(25)33-18-20-8-3-2-4-9-20/h2-17,32H,18H2,1H3,(H,29,30)
InChIKeySOXTZTBINNDHLA-UHFFFAOYSA-N
XLogP5.71
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide (CID 56679484) is N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide is CC(=O)c1ccc(/N=C(\NO)c2cccnc2Oc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide?
The InChIKey is SOXTZTBINNDHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-19(31)21-13-15-22(16-14-21)29-26(30-32)23-10-7-17-28-27(23)34-25-12-6-5-11-24(25)33-18-20-8-3-2-4-9-20/h2-17,32H,18H2,1H3,(H,29,30).
What are the key properties of N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide?
N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide has a molecular weight of 453.50 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56679484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).