1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide

C18H23N5O3S — CID 121118591

IUPAC1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)nn1
InChIInChI=1S/C18H23N5O3S/c1-13-4-9-17(22-21-13)23-10-2-3-15(12-23)18(24)20-11-14-5-7-16(8-6-14)27(19,25)26/h4-9,15H,2-3,10-12H2,1H3,(H,20,24)(H2,19,25,26)
InChIKeyKTFNUOHKOSKMFB-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.97
Rot. Bonds5

About 1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide

1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 121118591) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
PubChem CID121118591
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)nn1
InChIInChI=1S/C18H23N5O3S/c1-13-4-9-17(22-21-13)23-10-2-3-15(12-23)18(24)20-11-14-5-7-16(8-6-14)27(19,25)26/h4-9,15H,2-3,10-12H2,1H3,(H,20,24)(H2,19,25,26)
InChIKeyKTFNUOHKOSKMFB-UHFFFAOYSA-N
XLogP0.97
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118477
(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 52907743
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 90514592
N-(1,3-benzodioxol-5-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118410
1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 121103815
N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785732
N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118700
1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 121118673
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-iodophenyl)methyl]piperidine-3-carboxamide
CID 90514647
N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71701098
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53004882

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide (CID 121118591) is 1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KTFNUOHKOSKMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-13-4-9-17(22-21-13)23-10-2-3-15(12-23)18(24)20-11-14-5-7-16(8-6-14)27(19,25)26/h4-9,15H,2-3,10-12H2,1H3,(H,20,24)(H2,19,25,26).
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide?
1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 121118591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).