2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide

C22H23N5O2 — CID 155548069

IUPAC2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H23N5O2/c28-22(26-18-8-9-24-25-15-18)20-14-19(27-12-10-23-11-13-27)6-7-21(20)29-16-17-4-2-1-3-5-17/h1-9,14-15,23H,10-13,16H2,(H,24,26,28)
InChIKeyOXPBBSBVCRDCDC-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.72
Rot. Bonds6

About 2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide

2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide (PubChem CID 155548069) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide
PubChem CID155548069
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H23N5O2/c28-22(26-18-8-9-24-25-15-18)20-14-19(27-12-10-23-11-13-27)6-7-21(20)29-16-17-4-2-1-3-5-17/h1-9,14-15,23H,10-13,16H2,(H,24,26,28)
InChIKeyOXPBBSBVCRDCDC-UHFFFAOYSA-N
XLogP2.72
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.72
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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Related Compounds

Temanogrel
CID 25177971
5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-4-trifluoromethyl-benzamide
CID 11503810
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
Benzamide, 3-methoxy-N-[3-(1-methyl-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]phenyl]-
CID 11604525
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-methoxybenzamide
CID 11698617
1-(3-acetylphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486697
2,4-Difluoro-N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833073
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833076
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide?
The IUPAC name of 2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide (CID 155548069) is 2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1cc(N2CCNCC2)ccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide?
The InChIKey is OXPBBSBVCRDCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(26-18-8-9-24-25-15-18)20-14-19(27-12-10-23-11-13-27)6-7-21(20)29-16-17-4-2-1-3-5-17/h1-9,14-15,23H,10-13,16H2,(H,24,26,28).
What are the key properties of 2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide?
2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-5-piperazin-1-yl-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155548069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).