5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

C23H24N4O3 — CID 155516586

IUPAC5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCC(O)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C23H24N4O3/c28-20-9-12-27(13-10-20)19-6-7-22(30-16-17-4-2-1-3-5-17)21(14-19)23(29)26-18-8-11-24-25-15-18/h1-8,11,14-15,20,28H,9-10,12-13,16H2,(H,24,26,29)
InChIKeyAWBFKQBDZYCFSP-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.27
Rot. Bonds6

About 5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (PubChem CID 155516586) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
PubChem CID155516586
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCC(O)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C23H24N4O3/c28-20-9-12-27(13-10-20)19-6-7-22(30-16-17-4-2-1-3-5-17)21(14-19)23(29)26-18-8-11-24-25-15-18/h1-8,11,14-15,20,28H,9-10,12-13,16H2,(H,24,26,29)
InChIKeyAWBFKQBDZYCFSP-UHFFFAOYSA-N
XLogP3.27
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The IUPAC name of 5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (CID 155516586) is 5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1cc(N2CCC(O)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The InChIKey is AWBFKQBDZYCFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-20-9-12-27(13-10-20)19-6-7-22(30-16-17-4-2-1-3-5-17)21(14-19)23(29)26-18-8-11-24-25-15-18/h1-8,11,14-15,20,28H,9-10,12-13,16H2,(H,24,26,29).
What are the key properties of 5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155516586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).