N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide

C18H24N4O3 — CID 113044161

IUPACN-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
SMILESCOc1ccc(OCCNc2ccc(NC(=O)CC(C)C)nn2)cc1
InChIInChI=1S/C18H24N4O3/c1-13(2)12-18(23)20-17-9-8-16(21-22-17)19-10-11-25-15-6-4-14(24-3)5-7-15/h4-9,13H,10-12H2,1-3H3,(H,19,21)(H,20,22,23)
InChIKeyWJGCQBMXYMPHIA-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.96
Rot. Bonds9

About N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide

N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide (PubChem CID 113044161) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
PubChem CID113044161
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
SMILESCOc1ccc(OCCNc2ccc(NC(=O)CC(C)C)nn2)cc1
InChIInChI=1S/C18H24N4O3/c1-13(2)12-18(23)20-17-9-8-16(21-22-17)19-10-11-25-15-6-4-14(24-3)5-7-15/h4-9,13H,10-12H2,1-3H3,(H,19,21)(H,20,22,23)
InChIKeyWJGCQBMXYMPHIA-UHFFFAOYSA-N
XLogP2.96
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.96
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

methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate
CID 113044195
1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea
CID 113044200
N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038313
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524
2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
CID 113039555
6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109151337
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
1-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113029923
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042788
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271228

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide?
The IUPAC name of N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide (CID 113044161) is N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide is COc1ccc(OCCNc2ccc(NC(=O)CC(C)C)nn2)cc1.
What is the InChIKey of N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide?
The InChIKey is WJGCQBMXYMPHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(2)12-18(23)20-17-9-8-16(21-22-17)19-10-11-25-15-6-4-14(24-3)5-7-15/h4-9,13H,10-12H2,1-3H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide?
N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide has a molecular weight of 344.42 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 113044161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).