N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide

C21H23N7O3S — CID 121065024

IUPACN-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1
InChIInChI=1S/C21H23N7O3S/c1-16(29)23-17-4-6-19(7-5-17)32(30,31)28-13-11-27(12-14-28)21-9-8-20(25-26-21)24-18-3-2-10-22-15-18/h2-10,15H,11-14H2,1H3,(H,23,29)(H,24,25)
InChIKeySKGXEPDWPSCZNP-UHFFFAOYSA-N
MW453.53 g/mol
LogP2.08
Rot. Bonds6

About N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 121065024) has the molecular formula C21H23N7O3S and a molecular weight of 453.53 g/mol. Its IUPAC name is N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID121065024
Molecular FormulaC21H23N7O3S
Molecular Weight453.53 g/mol
Exact Mass453.16
IUPAC NameN-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1
InChIInChI=1S/C21H23N7O3S/c1-16(29)23-17-4-6-19(7-5-17)32(30,31)28-13-11-27(12-14-28)21-9-8-20(25-26-21)24-18-3-2-10-22-15-18/h2-10,15H,11-14H2,1H3,(H,23,29)(H,24,25)
InChIKeySKGXEPDWPSCZNP-UHFFFAOYSA-N
XLogP2.08
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 42111916
6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347815
6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine
CID 122347764
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065023
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065068
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
2-(4-propan-2-ylsulfonylphenyl)-1-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347651
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
4-[6-(pyridin-3-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 122347587
6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347759

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide (CID 121065024) is N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1.
What is the InChIKey of N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is SKGXEPDWPSCZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3S/c1-16(29)23-17-4-6-19(7-5-17)32(30,31)28-13-11-27(12-14-28)21-9-8-20(25-26-21)24-18-3-2-10-22-15-18/h2-10,15H,11-14H2,1H3,(H,23,29)(H,24,25).
What are the key properties of N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 453.53 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 121065024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).