6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide

C12H20N4O2 — CID 106185855

IUPAC6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(C)(C)C(C)(C)O)nn1
InChIInChI=1S/C12H20N4O2/c1-11(2,12(3,4)18)14-9-7-6-8(15-16-9)10(17)13-5/h6-7,18H,1-5H3,(H,13,17)(H,14,16)
InChIKeySDYBCFBYITZPID-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.80
Rot. Bonds4

About 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide

6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 106185855) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID106185855
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(C)(C)C(C)(C)O)nn1
InChIInChI=1S/C12H20N4O2/c1-11(2,12(3,4)18)14-9-7-6-8(15-16-9)10(17)13-5/h6-7,18H,1-5H3,(H,13,17)(H,14,16)
InChIKeySDYBCFBYITZPID-UHFFFAOYSA-N
XLogP0.80
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridazine-3-carboxamide
CID 106185340
3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol
CID 106185543
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
N-tert-butyl-6-(methylamino)pyridazine-3-carboxamide
CID 62173045
6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide
CID 104623971
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 114155484
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939
tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
CID 115669050
6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 115669027
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide (CID 106185855) is 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NC(C)(C)C(C)(C)O)nn1.
What is the InChIKey of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is SDYBCFBYITZPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-11(2,12(3,4)18)14-9-7-6-8(15-16-9)10(17)13-5/h6-7,18H,1-5H3,(H,13,17)(H,14,16).
What are the key properties of 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide?
6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 106185855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).