6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide

C22H26N6O2 — CID 133416851

IUPAC6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)NC2CCOCC2)nn1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H26N6O2/c1-16(18-13-23-28(15-18)14-17-5-3-2-4-6-17)24-21-8-7-20(26-27-21)22(29)25-19-9-11-30-12-10-19/h2-8,13,15-16,19H,9-12,14H2,1H3,(H,24,27)(H,25,29)
InChIKeyJTWIFOJFAJVTJD-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.80
Rot. Bonds7

About 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide

6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 133416851) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID133416851
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)NC2CCOCC2)nn1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H26N6O2/c1-16(18-13-23-28(15-18)14-17-5-3-2-4-6-17)24-21-8-7-20(26-27-21)22(29)25-19-9-11-30-12-10-19/h2-8,13,15-16,19H,9-12,14H2,1H3,(H,24,27)(H,25,29)
InChIKeyJTWIFOJFAJVTJD-UHFFFAOYSA-N
XLogP2.80
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide
CID 133382565
6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133412817
6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133395276
N-(oxan-4-yl)-6-[1-(oxolan-2-yl)propylamino]pyridazine-3-carboxamide
CID 133417973
6-[(1-methylbenzimidazol-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133383519
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
6-[2-(2-methoxyphenyl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382556
6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382089
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide
CID 133383535
N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine
CID 133416847
6-(butan-2-ylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109111349

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 133416851) is 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide is CC(Nc1ccc(C(=O)NC2CCOCC2)nn1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is JTWIFOJFAJVTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16(18-13-23-28(15-18)14-17-5-3-2-4-6-17)24-21-8-7-20(26-27-21)22(29)25-19-9-11-30-12-10-19/h2-8,13,15-16,19H,9-12,14H2,1H3,(H,24,27)(H,25,29).
What are the key properties of 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133416851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).