6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide

C13H22N4O2 — CID 104623971

IUPAC6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC(C)(C)CCOC)nn1
InChIInChI=1S/C13H22N4O2/c1-13(2,7-8-19-4)9-15-11-6-5-10(16-17-11)12(18)14-3/h5-6H,7-9H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyULHXPZCOPMZIEN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.31
Rot. Bonds7

About 6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide

6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 104623971) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID104623971
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC(C)(C)CCOC)nn1
InChIInChI=1S/C13H22N4O2/c1-13(2,7-8-19-4)9-15-11-6-5-10(16-17-11)12(18)14-3/h5-6H,7-9H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyULHXPZCOPMZIEN-UHFFFAOYSA-N
XLogP1.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
6-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79214306
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
CID 115669050
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methylpyridine-3-carboxylic acid
CID 114125748
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
6-[[4-(dimethylamino)-3,3-dimethylbutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
CID 133349282
6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridazine-3-carboxamide
CID 106185855
6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 115669027

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide (CID 104623971) is 6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCC(C)(C)CCOC)nn1.
What is the InChIKey of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is ULHXPZCOPMZIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,7-8-19-4)9-15-11-6-5-10(16-17-11)12(18)14-3/h5-6H,7-9H2,1-4H3,(H,14,18)(H,15,17).
What are the key properties of 6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide?
6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 104623971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).