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

C23H25N5O2 — CID 155511660

IUPAC5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESCN1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1
InChIInChI=1S/C23H25N5O2/c1-27-11-13-28(14-12-27)20-7-8-22(30-17-18-5-3-2-4-6-18)21(15-20)23(29)26-19-9-10-24-25-16-19/h2-10,15-16H,11-14,17H2,1H3,(H,24,26,29)
InChIKeyHHWNBWQRESNDJP-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.06
Rot. Bonds6

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

5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (PubChem CID 155511660) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
PubChem CID155511660
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESCN1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1
InChIInChI=1S/C23H25N5O2/c1-27-11-13-28(14-12-27)20-7-8-22(30-17-18-5-3-2-4-6-18)21(15-20)23(29)26-19-9-10-24-25-16-19/h2-10,15-16H,11-14,17H2,1H3,(H,24,26,29)
InChIKeyHHWNBWQRESNDJP-UHFFFAOYSA-N
XLogP3.06
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
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-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (CID 155511660) is 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is CN1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The InChIKey is HHWNBWQRESNDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27-11-13-28(14-12-27)20-7-8-22(30-17-18-5-3-2-4-6-18)21(15-20)23(29)26-19-9-10-24-25-16-19/h2-10,15-16H,11-14,17H2,1H3,(H,24,26,29).
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide has a molecular weight of 403.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155511660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).