6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide

C21H30N4O2 — CID 133381708

IUPAC6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(NCC23CC4CC(CC(C4)C2)C3)nn1
InChIInChI=1S/C21H30N4O2/c26-20(23-17-3-5-27-6-4-17)18-1-2-19(25-24-18)22-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-2,14-17H,3-13H2,(H,22,25)(H,23,26)
InChIKeyVSMJGIDRFIXBCZ-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.01
Rot. Bonds5

About 6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide

6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 133381708) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID133381708
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(NCC23CC4CC(CC(C4)C2)C3)nn1
InChIInChI=1S/C21H30N4O2/c26-20(23-17-3-5-27-6-4-17)18-1-2-19(25-24-18)22-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-2,14-17H,3-13H2,(H,22,25)(H,23,26)
InChIKeyVSMJGIDRFIXBCZ-UHFFFAOYSA-N
XLogP3.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1-benzylcyclopropyl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133395276
6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133406333
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-(2,2-dimethyloxan-4-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 83035650
N-cyclohexyl-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109112985
N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide
CID 83039941
6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133412817
6-[(1-methylbenzimidazol-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133383519
N-(oxan-4-yl)-6-[(1-propylpiperidin-4-yl)amino]pyridazine-3-carboxamide
CID 133383535
N-cycloheptyl-6-(ethylamino)pyridazine-3-carboxamide
CID 55042572
6-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382461

Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 133381708) is 6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide is O=C(NC1CCOCC1)c1ccc(NCC23CC4CC(CC(C4)C2)C3)nn1.
What is the InChIKey of 6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is VSMJGIDRFIXBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c26-20(23-17-3-5-27-6-4-17)18-1-2-19(25-24-18)22-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-2,14-17H,3-13H2,(H,22,25)(H,23,26).
What are the key properties of 6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantylmethylamino)-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133381708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).