3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide

C23H25N5O2 — CID 7422397

IUPAC3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCN(C)CC4)nn3)c2)c1
InChIInChI=1S/C23H25N5O2/c1-27-11-13-28(14-12-27)22-10-9-21(25-26-22)17-5-3-7-19(15-17)24-23(29)18-6-4-8-20(16-18)30-2/h3-10,15-16H,11-14H2,1-2H3,(H,24,29)
InChIKeyDJOWIQMMODJTMR-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.16
Rot. Bonds5

About 3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide

3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide (PubChem CID 7422397) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
PubChem CID7422397
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCN(C)CC4)nn3)c2)c1
InChIInChI=1S/C23H25N5O2/c1-27-11-13-28(14-12-27)22-10-9-21(25-26-22)17-5-3-7-19(15-17)24-23(29)18-6-4-8-20(16-18)30-2/h3-10,15-16H,11-14H2,1-2H3,(H,24,29)
InChIKeyDJOWIQMMODJTMR-UHFFFAOYSA-N
XLogP3.16
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(5-FLUORO-2-METHOXYBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11384819
2-(3-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11617466
N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]pyridin-4-yl]-2-phenylacetamide
CID 118622466
1-{3-[6-(2-Methoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-ethanone
CID 644406
N-Cyclopropyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-benzamide
CID 646176
{4-[6-(2-Methoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-morpholin-4-yl-methanone
CID 6411210
N-Cyclohexyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-N-methyl-benzamide
CID 6411222
(3-Methoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292475
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide
CID 7422442
3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422448
4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422449
2,3-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422451

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide (CID 7422397) is 3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCN(C)CC4)nn3)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The InChIKey is DJOWIQMMODJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27-11-13-28(14-12-27)22-10-9-21(25-26-22)17-5-3-7-19(15-17)24-23(29)18-6-4-8-20(16-18)30-2/h3-10,15-16H,11-14H2,1-2H3,(H,24,29).
What are the key properties of 3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide has a molecular weight of 403.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide is sourced from PubChem (CID 7422397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).