2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide

C23H24N4O2 — CID 112984626

IUPAC2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C23H24N4O2/c1-29-21-7-3-2-6-20(21)23(28)25-18-9-11-19(12-10-18)26-14-16-27(17-15-26)22-8-4-5-13-24-22/h2-13H,14-17H2,1H3,(H,25,28)
InChIKeyGSCOJMCSKJDTFK-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.67
Rot. Bonds5

About 2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide

2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide (PubChem CID 112984626) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
PubChem CID112984626
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C23H24N4O2/c1-29-21-7-3-2-6-20(21)23(28)25-18-9-11-19(12-10-18)26-14-16-27(17-15-26)22-8-4-5-13-24-22/h2-13H,14-17H2,1H3,(H,25,28)
InChIKeyGSCOJMCSKJDTFK-UHFFFAOYSA-N
XLogP3.67
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Sonidegib
CID 24775005
4-iodo-N-(2-(4-(methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 4658
Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
5-(2-(2-aminopyrimidin-5-yl)ethynyl)-2-methoxy-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 11620207
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 11975203
Aminopyrimidine amide, 17
CID 24823589
Gsk-1059865
CID 44463491
5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
2-Methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
CID 139582022

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide (CID 112984626) is 2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is GSCOJMCSKJDTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-21-7-3-2-6-20(21)23(28)25-18-9-11-19(12-10-18)26-14-16-27(17-15-26)22-8-4-5-13-24-22/h2-13H,14-17H2,1H3,(H,25,28).
What are the key properties of 2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide?
2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 112984626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).