N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide

C25H27N5O3 — CID 30859892

IUPACN-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide
SMILESCCOc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C25H27N5O3/c1-2-33-21-10-8-19(9-11-21)18-24(31)30-16-14-29(15-17-30)23-13-12-22(27-28-23)26-25(32)20-6-4-3-5-7-20/h3-13H,2,14-18H2,1H3,(H,26,27,32)
InChIKeyOPIZROHLFUWPIP-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.02
Rot. Bonds7

About N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide

N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide (PubChem CID 30859892) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide
PubChem CID30859892
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide
SMILESCCOc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C25H27N5O3/c1-2-33-21-10-8-19(9-11-21)18-24(31)30-16-14-29(15-17-30)23-13-12-22(27-28-23)26-25(32)20-6-4-3-5-7-20/h3-13H,2,14-18H2,1H3,(H,26,27,32)
InChIKeyOPIZROHLFUWPIP-UHFFFAOYSA-N
XLogP3.02
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide?
The IUPAC name of N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide (CID 30859892) is N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide?
The canonical SMILES for N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide is CCOc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)nn3)CC2)cc1.
What is the InChIKey of N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide?
The InChIKey is OPIZROHLFUWPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-2-33-21-10-8-19(9-11-21)18-24(31)30-16-14-29(15-17-30)23-13-12-22(27-28-23)26-25(32)20-6-4-3-5-7-20/h3-13H,2,14-18H2,1H3,(H,26,27,32).
What are the key properties of N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide?
N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-yl]benzamide is sourced from PubChem (CID 30859892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).