N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

C19H18N8OS — CID 52992999

IUPACN-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)C1CCCN(c2ccc(-n3cccn3)nn2)C1
InChIInChI=1S/C19H18N8OS/c28-19(21-14-5-1-6-15-18(14)25-29-24-15)13-4-2-10-26(12-13)16-7-8-17(23-22-16)27-11-3-9-20-27/h1,3,5-9,11,13H,2,4,10,12H2,(H,21,28)
InChIKeyXLJPVKMTIPBHIH-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.52
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 52992999) has the molecular formula C19H18N8OS and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID52992999
Molecular FormulaC19H18N8OS
Molecular Weight406.48 g/mol
Exact Mass406.13
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)C1CCCN(c2ccc(-n3cccn3)nn2)C1
InChIInChI=1S/C19H18N8OS/c28-19(21-14-5-1-6-15-18(14)25-29-24-15)13-4-2-10-26(12-13)16-7-8-17(23-22-16)27-11-3-9-20-27/h1,3,5-9,11,13H,2,4,10,12H2,(H,21,28)
InChIKeyXLJPVKMTIPBHIH-UHFFFAOYSA-N
XLogP2.52
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071371
N-(2-methylsulfanylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514489
(3R)-N-(1H-benzimidazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907658
(3R)-N-cyclopropyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907655
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907639
N-(2,1,3-benzothiadiazol-4-yl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519336
N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514404
N-(3-methyl-2-pyridinyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514416
N-(2-methyl-4-nitrophenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514403
N-(4-morpholin-4-ylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514499
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514398
(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 52907602

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 52992999) is N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(Nc1cccc2nsnc12)C1CCCN(c2ccc(-n3cccn3)nn2)C1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is XLJPVKMTIPBHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8OS/c28-19(21-14-5-1-6-15-18(14)25-29-24-15)13-4-2-10-26(12-13)16-7-8-17(23-22-16)27-11-3-9-20-27/h1,3,5-9,11,13H,2,4,10,12H2,(H,21,28).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52992999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).