6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide

C11H18N4O3 — CID 79207000

IUPAC6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCOCCOC)nn1
InChIInChI=1S/C11H18N4O3/c1-12-11(16)9-3-4-10(15-14-9)13-5-6-18-8-7-17-2/h3-4H,5-8H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyXTHTWFGVPKPAMC-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.09
Rot. Bonds8

About 6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide

6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 79207000) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
PubChem CID79207000
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCOCCOC)nn1
InChIInChI=1S/C11H18N4O3/c1-12-11(16)9-3-4-10(15-14-9)13-5-6-18-8-7-17-2/h3-4H,5-8H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyXTHTWFGVPKPAMC-UHFFFAOYSA-N
XLogP-0.09
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide
CID 104623971
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
N-methyl-6-(2-pyridin-3-yloxyethylamino)pyridazine-3-carboxamide
CID 133339567
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
CID 115669050
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one
CID 177358408
6-[3-(4-fluorophenoxy)propylamino]-N-methylpyridazine-3-carboxamide
CID 133329134
6-[2-[ethyl(methyl)amino]ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207290
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide (CID 79207000) is 6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCCOCCOC)nn1.
What is the InChIKey of 6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is XTHTWFGVPKPAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-12-11(16)9-3-4-10(15-14-9)13-5-6-18-8-7-17-2/h3-4H,5-8H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide?
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 79207000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).