N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide

C13H20N4O2 — CID 83039941

IUPACN-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NC2CCOC(C)(C)C2)nn1
InChIInChI=1S/C13H20N4O2/c1-13(2)8-9(6-7-19-13)15-12(18)10-4-5-11(14-3)17-16-10/h4-5,9H,6-8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyYUDNTTJCSQFXSY-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.21
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide

N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 83039941) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide
PubChem CID83039941
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NC2CCOC(C)(C)C2)nn1
InChIInChI=1S/C13H20N4O2/c1-13(2)8-9(6-7-19-13)15-12(18)10-4-5-11(14-3)17-16-10/h4-5,9H,6-8H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyYUDNTTJCSQFXSY-UHFFFAOYSA-N
XLogP1.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 83035650
6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide
CID 83033818
N-(2,2-dimethyloxan-4-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104641994
6-bromo-N-(2,2-dimethyloxan-4-yl)pyridine-2-carboxamide
CID 103890092
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 96557415
3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639
N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 83035238
2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
CID 107075856
N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
CID 103867319
6-(methylamino)-N-(2-methylcyclopropyl)pyridazine-3-carboxamide
CID 62409624
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 83039304

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide (CID 83039941) is N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide is CNc1ccc(C(=O)NC2CCOC(C)(C)C2)nn1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is YUDNTTJCSQFXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2)8-9(6-7-19-13)15-12(18)10-4-5-11(14-3)17-16-10/h4-5,9H,6-8H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide?
N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 83039941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).