2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide

C23H20N4O3 — CID 122307897

IUPAC2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
SMILESO=C(COCc1ccccc1)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1
InChIInChI=1S/C23H20N4O3/c28-22(17-29-16-18-6-2-1-3-7-18)24-19-8-10-20(11-9-19)30-23-13-12-21(25-26-23)27-14-4-5-15-27/h1-15H,16-17H2,(H,24,28)
InChIKeyKYCVOFWYFUTZOX-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.21
Rot. Bonds8

About 2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide

2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide (PubChem CID 122307897) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
PubChem CID122307897
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
SMILESO=C(COCc1ccccc1)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1
InChIInChI=1S/C23H20N4O3/c28-22(17-29-16-18-6-2-1-3-7-18)24-19-8-10-20(11-9-19)30-23-13-12-21(25-26-23)27-14-4-5-15-27/h1-15H,16-17H2,(H,24,28)
InChIKeyKYCVOFWYFUTZOX-UHFFFAOYSA-N
XLogP4.21
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676
2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122307695
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pentanamide
CID 122307637
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]furan-2-carboxamide
CID 122307682
1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
CID 122307817
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]cyclopropanecarboxamide
CID 122307702
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307665
1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122307713
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide
CID 122307854
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
CID 122306542
4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307861

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
The IUPAC name of 2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide (CID 122307897) is 2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide is O=C(COCc1ccccc1)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1.
What is the InChIKey of 2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
The InChIKey is KYCVOFWYFUTZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-22(17-29-16-18-6-2-1-3-7-18)24-19-8-10-20(11-9-19)30-23-13-12-21(25-26-23)27-14-4-5-15-27/h1-15H,16-17H2,(H,24,28).
What are the key properties of 2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide has a molecular weight of 400.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide is sourced from PubChem (CID 122307897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).