6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide

C25H25N5OS — CID 121028505

IUPAC6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
SMILESCc1cccc2sc(NC(=O)c3ccc(N4CCC(Cc5ccccc5)CC4)nn3)nc12
InChIInChI=1S/C25H25N5OS/c1-17-6-5-9-21-23(17)26-25(32-21)27-24(31)20-10-11-22(29-28-20)30-14-12-19(13-15-30)16-18-7-3-2-4-8-18/h2-11,19H,12-16H2,1H3,(H,26,27,31)
InChIKeyVODGXGGLMIBMST-UHFFFAOYSA-N
MW443.58 g/mol
LogP5.11
Rot. Bonds5

About 6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide

6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide (PubChem CID 121028505) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
PubChem CID121028505
Molecular FormulaC25H25N5OS
Molecular Weight443.58 g/mol
Exact Mass443.18
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
SMILESCc1cccc2sc(NC(=O)c3ccc(N4CCC(Cc5ccccc5)CC4)nn3)nc12
InChIInChI=1S/C25H25N5OS/c1-17-6-5-9-21-23(17)26-25(32-21)27-24(31)20-10-11-22(29-28-20)30-14-12-19(13-15-30)16-18-7-3-2-4-8-18/h2-11,19H,12-16H2,1H3,(H,26,27,31)
InChIKeyVODGXGGLMIBMST-UHFFFAOYSA-N
XLogP5.11
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.58
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide
CID 121028392
6-(4-benzylpiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyridazine-3-carboxamide
CID 71778645
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide
CID 121028559
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 90509660
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
6-(4-benzylpiperidin-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)pyridazine-3-carboxamide
CID 121149048
6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 71778620
methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044887
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
2-benzylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2218666

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide (CID 121028505) is 6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide is Cc1cccc2sc(NC(=O)c3ccc(N4CCC(Cc5ccccc5)CC4)nn3)nc12.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
The InChIKey is VODGXGGLMIBMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS/c1-17-6-5-9-21-23(17)26-25(32-21)27-24(31)20-10-11-22(29-28-20)30-14-12-19(13-15-30)16-18-7-3-2-4-8-18/h2-11,19H,12-16H2,1H3,(H,26,27,31).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 443.58 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 121028505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).