N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C24H26N4O4S — CID 26906391

IUPACN-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)ccc1=O
InChIInChI=1S/C24H26N4O4S/c1-27-23(29)12-11-22(26-27)24(30)25-20-7-9-21(10-8-20)33(31,32)28-15-13-19(14-16-28)17-18-5-3-2-4-6-18/h2-12,19H,13-17H2,1H3,(H,25,30)
InChIKeyIAQWJSXLAXFCJB-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.68
Rot. Bonds6

About N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 26906391) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID26906391
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)ccc1=O
InChIInChI=1S/C24H26N4O4S/c1-27-23(29)12-11-22(26-27)24(30)25-20-7-9-21(10-8-20)33(31,32)28-15-13-19(14-16-28)17-18-5-3-2-4-6-18/h2-12,19H,13-17H2,1H3,(H,25,30)
InChIKeyIAQWJSXLAXFCJB-UHFFFAOYSA-N
XLogP2.68
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 45353571
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CID 55647641
N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 26007431
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-3-(1-methylpyrazol-4-yl)propanamide
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CID 55774121
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CID 110826779
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
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CID 110825251
1-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 94806275

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 26906391) is N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)ccc1=O.
What is the InChIKey of N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is IAQWJSXLAXFCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-27-23(29)12-11-22(26-27)24(30)25-20-7-9-21(10-8-20)33(31,32)28-15-13-19(14-16-28)17-18-5-3-2-4-6-18/h2-12,19H,13-17H2,1H3,(H,25,30).
What are the key properties of N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26906391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).