3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide

C13H14N4O2 — CID 116786009

IUPAC3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide
SMILESNc1ccc(OCCC(=O)Nc2cccnn2)cc1
InChIInChI=1S/C13H14N4O2/c14-10-3-5-11(6-4-10)19-9-7-13(18)16-12-2-1-8-15-17-12/h1-6,8H,7,9,14H2,(H,16,17,18)
InChIKeyYWSZHIJQAWOEPE-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.47
Rot. Bonds5

About 3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide

3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide (PubChem CID 116786009) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide
PubChem CID116786009
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide
SMILESNc1ccc(OCCC(=O)Nc2cccnn2)cc1
InChIInChI=1S/C13H14N4O2/c14-10-3-5-11(6-4-10)19-9-7-13(18)16-12-2-1-8-15-17-12/h1-6,8H,7,9,14H2,(H,16,17,18)
InChIKeyYWSZHIJQAWOEPE-UHFFFAOYSA-N
XLogP1.47
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide
CID 61094942
3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide
CID 61090388
5-chloro-N-pyridazin-3-ylpentanamide
CID 116786504
pyridazin-3-ylurea
CID 13080987
3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide
CID 107623924
3-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107843409
3-(4-aminophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107699338
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
CID 81252231
2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
CID 63654084
2-pyrazol-1-ylethyl 3-(4-aminophenoxy)propanoate
CID 61495027
N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide
CID 113044277

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide (CID 116786009) is 3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide is Nc1ccc(OCCC(=O)Nc2cccnn2)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide?
The InChIKey is YWSZHIJQAWOEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-10-3-5-11(6-4-10)19-9-7-13(18)16-12-2-1-8-15-17-12/h1-6,8H,7,9,14H2,(H,16,17,18).
What are the key properties of 3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide?
3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide has a molecular weight of 258.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-pyridazin-3-ylpropanamide is sourced from PubChem (CID 116786009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).