1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

C22H27N7O3S — CID 121103815

IUPAC1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(N2CCCC(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)nn1
InChIInChI=1S/C22H27N7O3S/c1-16-24-12-14-29(16)21-9-8-20(26-27-21)28-13-2-3-18(15-28)22(30)25-11-10-17-4-6-19(7-5-17)33(23,31)32/h4-9,12,14,18H,2-3,10-11,13,15H2,1H3,(H,25,30)(H2,23,31,32)
InChIKeyHYQIAUYZEZHSAW-UHFFFAOYSA-N
MW469.57 g/mol
LogP1.19
Rot. Bonds7

About 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 121103815) has the molecular formula C22H27N7O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID121103815
Molecular FormulaC22H27N7O3S
Molecular Weight469.57 g/mol
Exact Mass469.19
IUPAC Name1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1nccn1-c1ccc(N2CCCC(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)nn1
InChIInChI=1S/C22H27N7O3S/c1-16-24-12-14-29(16)21-9-8-20(26-27-21)28-13-2-3-18(15-28)22(30)25-11-10-17-4-6-19(7-5-17)33(23,31)32/h4-9,12,14,18H,2-3,10-11,13,15H2,1H3,(H,25,30)(H2,23,31,32)
InChIKeyHYQIAUYZEZHSAW-UHFFFAOYSA-N
XLogP1.19
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103764
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 90514592
N-(2-phenylethyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104048
1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 121118591
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104051
N-(4-butylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103838
(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 52907743
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601129
1-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 22552986
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121103839
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 90514623
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121103832

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide (CID 121103815) is 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide is Cc1nccn1-c1ccc(N2CCCC(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)nn1.
What is the InChIKey of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is HYQIAUYZEZHSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3S/c1-16-24-12-14-29(16)21-9-8-20(26-27-21)28-13-2-3-18(15-28)22(30)25-11-10-17-4-6-19(7-5-17)33(23,31)32/h4-9,12,14,18H,2-3,10-11,13,15H2,1H3,(H,25,30)(H2,23,31,32).
What are the key properties of 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 121103815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).