6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide

C13H20N4O3 — CID 133400022

IUPAC6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC2(OC)CCOCC2)nn1
InChIInChI=1S/C13H20N4O3/c1-14-12(18)10-3-4-11(17-16-10)15-9-13(19-2)5-7-20-8-6-13/h3-4H,5-9H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyHSYLZLGGFGXMRV-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.44
Rot. Bonds5

About 6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide

6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 133400022) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID133400022
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC2(OC)CCOCC2)nn1
InChIInChI=1S/C13H20N4O3/c1-14-12(18)10-3-4-11(17-16-10)15-9-13(19-2)5-7-20-8-6-13/h3-4H,5-9H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyHSYLZLGGFGXMRV-UHFFFAOYSA-N
XLogP0.44
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide (CID 133400022) is 6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCC2(OC)CCOCC2)nn1.
What is the InChIKey of 6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is HSYLZLGGFGXMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-14-12(18)10-3-4-11(17-16-10)15-9-13(19-2)5-7-20-8-6-13/h3-4H,5-9H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide?
6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133400022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).