3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide

C24H28N5O+ — CID 7593450

IUPAC3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)c1
InChIInChI=1S/C24H27N5O/c1-17-14-18(2)16-20(15-17)24(30)25-21-6-4-19(5-7-21)22-8-9-23(27-26-22)29-12-10-28(3)11-13-29/h4-9,14-16H,10-13H2,1-3H3,(H,25,30)/p+1
InChIKeyHVRNAFUTBZPLBQ-UHFFFAOYSA-O
MW402.52 g/mol
LogP2.35
Rot. Bonds4

About 3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide

3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide (PubChem CID 7593450) has the molecular formula C24H28N5O+ and a molecular weight of 402.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide
PubChem CID7593450
Molecular FormulaC24H28N5O+
Molecular Weight402.52 g/mol
Exact Mass402.23
IUPAC Name3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)c1
InChIInChI=1S/C24H27N5O/c1-17-14-18(2)16-20(15-17)24(30)25-21-6-4-19(5-7-21)22-8-9-23(27-26-22)29-12-10-28(3)11-13-29/h4-9,14-16H,10-13H2,1-3H3,(H,25,30)/p+1
InChIKeyHVRNAFUTBZPLBQ-UHFFFAOYSA-O
XLogP2.35
TPSA62.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441
N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide
CID 7593425
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 41077843
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 7520797
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7593475
N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 7520795
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 41089324

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide (CID 7593450) is 3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide?
The InChIKey is HVRNAFUTBZPLBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27N5O/c1-17-14-18(2)16-20(15-17)24(30)25-21-6-4-19(5-7-21)22-8-9-23(27-26-22)29-12-10-28(3)11-13-29/h4-9,14-16H,10-13H2,1-3H3,(H,25,30)/p+1.
What are the key properties of 3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide?
3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide is sourced from PubChem (CID 7593450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).