6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide

C26H25N5O — CID 121028559

IUPAC6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C26H25N5O/c32-26(28-23-10-4-9-22-21(23)8-5-15-27-22)24-11-12-25(30-29-24)31-16-13-20(14-17-31)18-19-6-2-1-3-7-19/h1-12,15,20H,13-14,16-18H2,(H,28,32)
InChIKeyXLGAEQALRSNZNO-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.74
Rot. Bonds5

About 6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide

6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide (PubChem CID 121028559) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide
PubChem CID121028559
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C26H25N5O/c32-26(28-23-10-4-9-22-21(23)8-5-15-27-22)24-11-12-25(30-29-24)31-16-13-20(14-17-31)18-19-6-2-1-3-7-19/h1-12,15,20H,13-14,16-18H2,(H,28,32)
InChIKeyXLGAEQALRSNZNO-UHFFFAOYSA-N
XLogP4.74
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-pyrimidin-2-ylpyridazine-3-carboxamide
CID 121028453
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
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-(5-methyl-1H-pyrazol-3-yl)pyridazine-3-carboxamide
CID 71778645
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
6-(4-benzylpiperidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 121028505
6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 71778620
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
N-(2-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124209
6-(methylamino)-N-quinolin-5-ylpyridazine-3-carboxamide
CID 62187272

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide (CID 121028559) is 6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide is O=C(Nc1cccc2ncccc12)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide?
The InChIKey is XLGAEQALRSNZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c32-26(28-23-10-4-9-22-21(23)8-5-15-27-22)24-11-12-25(30-29-24)31-16-13-20(14-17-31)18-19-6-2-1-3-7-19/h1-12,15,20H,13-14,16-18H2,(H,28,32).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-quinolin-5-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121028559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).