N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide

C19H18N4O3 — CID 113048215

IUPACN-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
SMILESCOc1cccc(Nc2ccc(NC(=O)COc3ccccc3)nn2)c1
InChIInChI=1S/C19H18N4O3/c1-25-16-9-5-6-14(12-16)20-17-10-11-18(23-22-17)21-19(24)13-26-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyGTHYYGMCIWROCJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.25
Rot. Bonds7

About N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide

N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide (PubChem CID 113048215) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
PubChem CID113048215
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
SMILESCOc1cccc(Nc2ccc(NC(=O)COc3ccccc3)nn2)c1
InChIInChI=1S/C19H18N4O3/c1-25-16-9-5-6-14(12-16)20-17-10-11-18(23-22-17)21-19(24)13-26-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyGTHYYGMCIWROCJ-UHFFFAOYSA-N
XLogP3.25
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048225
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
CID 113045737
N-[6-(3-methoxyanilino)pyridazin-3-yl]pentanamide
CID 113048182
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047782
2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
CID 113048221
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113049082
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113050313
1-[6-(3-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048242
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
N-[6-(3-methoxyanilino)-3-pyridinyl]propanamide
CID 113019375

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide (CID 113048215) is N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide is COc1cccc(Nc2ccc(NC(=O)COc3ccccc3)nn2)c1.
What is the InChIKey of N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide?
The InChIKey is GTHYYGMCIWROCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-16-9-5-6-14(12-16)20-17-10-11-18(23-22-17)21-19(24)13-26-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide?
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide has a molecular weight of 350.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 113048215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).