4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile

C23H23N5O2S — CID 53104600

IUPAC4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile
SMILESCc1ccc(-c2ccc(Nc3ccc(C#N)cc3)nn2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H23N5O2S/c1-17-5-8-19(15-22(17)31(29,30)28-13-3-2-4-14-28)21-11-12-23(27-26-21)25-20-9-6-18(16-24)7-10-20/h5-12,15H,2-4,13-14H2,1H3,(H,25,27)
InChIKeyUBROCNGRZZOLRY-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.24
Rot. Bonds5

About 4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile

4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile (PubChem CID 53104600) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile
PubChem CID53104600
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile
SMILESCc1ccc(-c2ccc(Nc3ccc(C#N)cc3)nn2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H23N5O2S/c1-17-5-8-19(15-22(17)31(29,30)28-13-3-2-4-14-28)21-11-12-23(27-26-21)25-20-9-6-18(16-24)7-10-20/h5-12,15H,2-4,13-14H2,1H3,(H,25,27)
InChIKeyUBROCNGRZZOLRY-UHFFFAOYSA-N
XLogP4.24
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104534
N-(2,5-difluorophenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53010149
1-[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]azepane
CID 53104590
N-[(4-chlorophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104537
N-(4-ethylphenyl)-6-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104720
N-(3-bromophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine
CID 53104691
N-(3-chlorophenyl)-6-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridazin-3-amine
CID 53104636
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile
CID 27056917
6-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843165
(2S)-2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(3-cyanophenyl)propanamide
CID 25392666
N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843164

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile?
The IUPAC name of 4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile (CID 53104600) is 4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile?
The canonical SMILES for 4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile is Cc1ccc(-c2ccc(Nc3ccc(C#N)cc3)nn2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile?
The InChIKey is UBROCNGRZZOLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-17-5-8-19(15-22(17)31(29,30)28-13-3-2-4-14-28)21-11-12-23(27-26-21)25-20-9-6-18(16-24)7-10-20/h5-12,15H,2-4,13-14H2,1H3,(H,25,27).
What are the key properties of 4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile?
4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile has a molecular weight of 433.54 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]amino]benzonitrile is sourced from PubChem (CID 53104600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).