3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide

C23H20N4O2 — CID 122307676

IUPAC3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1
InChIInChI=1S/C23H20N4O2/c28-22(14-8-18-6-2-1-3-7-18)24-19-9-11-20(12-10-19)29-23-15-13-21(25-26-23)27-16-4-5-17-27/h1-7,9-13,15-17H,8,14H2,(H,24,28)
InChIKeyCDDLTBZSEGNXEX-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.63
Rot. Bonds7

About 3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide

3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide (PubChem CID 122307676) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
PubChem CID122307676
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1
InChIInChI=1S/C23H20N4O2/c28-22(14-8-18-6-2-1-3-7-18)24-19-9-11-20(12-10-19)29-23-15-13-21(25-26-23)27-16-4-5-17-27/h1-7,9-13,15-17H,8,14H2,(H,24,28)
InChIKeyCDDLTBZSEGNXEX-UHFFFAOYSA-N
XLogP4.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122307897
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pentanamide
CID 122307637
2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122307695
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
CID 122306542
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]furan-2-carboxamide
CID 122307682
4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122308856
3-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]propanamide
CID 122305197
4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
CID 122305786
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]cyclopropanecarboxamide
CID 122307702
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
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
The IUPAC name of 3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide (CID 122307676) is 3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide is O=C(CCc1ccccc1)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1.
What is the InChIKey of 3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
The InChIKey is CDDLTBZSEGNXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-22(14-8-18-6-2-1-3-7-18)24-19-9-11-20(12-10-19)29-23-15-13-21(25-26-23)27-16-4-5-17-27/h1-7,9-13,15-17H,8,14H2,(H,24,28).
What are the key properties of 3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide has a molecular weight of 384.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide is sourced from PubChem (CID 122307676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).