6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide

C12H20N4O2 — CID 79214306

IUPAC6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(COC)C(C)C)nn1
InChIInChI=1S/C12H20N4O2/c1-8(2)10(7-18-4)14-11-6-5-9(15-16-11)12(17)13-3/h5-6,8,10H,7H2,1-4H3,(H,13,17)(H,14,16)
InChIKeyXUGJFJJTORDSJF-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.92
Rot. Bonds6

About 6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide

6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 79214306) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID79214306
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(COC)C(C)C)nn1
InChIInChI=1S/C12H20N4O2/c1-8(2)10(7-18-4)14-11-6-5-9(15-16-11)12(17)13-3/h5-6,8,10H,7H2,1-4H3,(H,13,17)(H,14,16)
InChIKeyXUGJFJJTORDSJF-UHFFFAOYSA-N
XLogP0.92
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide
CID 104623971
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
6-[[(2R)-1-hydroxybutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
CID 133434733
6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide
CID 133313240
6-hydrazinyl-N-(1-methoxypropan-2-yl)pyridazine-3-carboxamide
CID 62236681
6-[(1-amino-4-methylpentan-3-yl)amino]-N-ethylpyridazine-3-carboxamide
CID 106357629
3-cyclopropyl-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid
CID 112735032
6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
CID 133349282
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
N-ethyl-6-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazine-3-carboxamide
CID 106158242
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide (CID 79214306) is 6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NC(COC)C(C)C)nn1.
What is the InChIKey of 6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is XUGJFJJTORDSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)10(7-18-4)14-11-6-5-9(15-16-11)12(17)13-3/h5-6,8,10H,7H2,1-4H3,(H,13,17)(H,14,16).
What are the key properties of 6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide?
6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 79214306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).