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

C24H23N5O2 — CID 155539469

IUPAC5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESN#CC1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1
InChIInChI=1S/C24H23N5O2/c25-15-18-9-12-29(13-10-18)21-6-7-23(31-17-19-4-2-1-3-5-19)22(14-21)24(30)28-20-8-11-26-27-16-20/h1-8,11,14,16,18H,9-10,12-13,17H2,(H,26,28,30)
InChIKeyZPZSBZQIZOWSPG-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.05
Rot. Bonds6

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

5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (PubChem CID 155539469) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
PubChem CID155539469
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESN#CC1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1
InChIInChI=1S/C24H23N5O2/c25-15-18-9-12-29(13-10-18)21-6-7-23(31-17-19-4-2-1-3-5-19)22(14-21)24(30)28-20-8-11-26-27-16-20/h1-8,11,14,16,18H,9-10,12-13,17H2,(H,26,28,30)
InChIKeyZPZSBZQIZOWSPG-UHFFFAOYSA-N
XLogP4.05
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.05
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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Related Compounds

5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
5-Bromo-2-[(phenylmethyl)oxy]-N-4-pyridazinylbenzamide
CID 51357233
5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155511660
5-[(3R)-3-methylmorpholin-4-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155511739
2-phenylmethoxy-5-piperidin-1-yl-N-pyridazin-4-ylbenzamide
CID 155514319
2-phenylmethoxy-N-pyridazin-4-yl-5-pyrrolidin-1-ylbenzamide
CID 155516354
5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155516586
5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155519454
5-(3,3-difluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155521075
5-morpholin-4-yl-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155525803
5-(3-fluoroazetidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155532115

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The IUPAC name of 5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (CID 155539469) is 5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is N#CC1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1.
What is the InChIKey of 5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The InChIKey is ZPZSBZQIZOWSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c25-15-18-9-12-29(13-10-18)21-6-7-23(31-17-19-4-2-1-3-5-19)22(14-21)24(30)28-20-8-11-26-27-16-20/h1-8,11,14,16,18H,9-10,12-13,17H2,(H,26,28,30).
What are the key properties of 5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide has a molecular weight of 413.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanopiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155539469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).