6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide

C21H26N4O2 — CID 133395276

IUPAC6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(NCC2(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C21H26N4O2/c26-20(23-17-8-12-27-13-9-17)18-6-7-19(25-24-18)22-15-21(10-11-21)14-16-4-2-1-3-5-16/h1-7,17H,8-15H2,(H,22,25)(H,23,26)
InChIKeyPYMLPOZEWVRDDK-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.82
Rot. Bonds7

About 6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide

6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 133395276) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID133395276
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(NCC2(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C21H26N4O2/c26-20(23-17-8-12-27-13-9-17)18-6-7-19(25-24-18)22-15-21(10-11-21)14-16-4-2-1-3-5-16/h1-7,17H,8-15H2,(H,22,25)(H,23,26)
InChIKeyPYMLPOZEWVRDDK-UHFFFAOYSA-N
XLogP2.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381708
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
6-[(1-methylbenzimidazol-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133383519
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133416851
6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133406333
N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide
CID 133382565
N-(2,2-dimethyloxan-4-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 83035650
N-phenyl-6-[(4-phenyloxan-4-yl)methylamino]pyridazine-3-carboxamide
CID 133313852
N-cycloheptyl-6-(ethylamino)pyridazine-3-carboxamide
CID 55042572
N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide
CID 133383535
N-cyclohexyl-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109112985

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 133395276) is 6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide is O=C(NC1CCOCC1)c1ccc(NCC2(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is PYMLPOZEWVRDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20(23-17-8-12-27-13-9-17)18-6-7-19(25-24-18)22-15-21(10-11-21)14-16-4-2-1-3-5-16/h1-7,17H,8-15H2,(H,22,25)(H,23,26).
What are the key properties of 6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133395276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).