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

C15H18N4O4 — CID 113044195

IUPACmethyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(NCCOc2ccc(OC)cc2)nn1
InChIInChI=1S/C15H18N4O4/c1-21-11-3-5-12(6-4-11)23-10-9-16-13-7-8-14(19-18-13)17-15(20)22-2/h3-8H,9-10H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyHYAWVWRMABHNSU-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.15
Rot. Bonds7

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

methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate (PubChem CID 113044195) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate
PubChem CID113044195
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Namemethyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(NCCOc2ccc(OC)cc2)nn1
InChIInChI=1S/C15H18N4O4/c1-21-11-3-5-12(6-4-11)23-10-9-16-13-7-8-14(19-18-13)17-15(20)22-2/h3-8H,9-10H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyHYAWVWRMABHNSU-UHFFFAOYSA-N
XLogP2.15
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
CID 113044161
1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea
CID 113044200
2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
CID 113039555
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121641
2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113014714
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042788
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109151337
N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113014703
4-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044524

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate?
The IUPAC name of methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate (CID 113044195) is methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate.
What is the SMILES notation for methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate?
The canonical SMILES for methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate is COC(=O)Nc1ccc(NCCOc2ccc(OC)cc2)nn1.
What is the InChIKey of methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate?
The InChIKey is HYAWVWRMABHNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-21-11-3-5-12(6-4-11)23-10-9-16-13-7-8-14(19-18-13)17-15(20)22-2/h3-8H,9-10H2,1-2H3,(H,16,18)(H,17,19,20).
What are the key properties of methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate?
methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate has a molecular weight of 318.33 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]carbamate is sourced from PubChem (CID 113044195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).