4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

C22H15N5O2 — CID 122307861

IUPAC4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc1
InChIInChI=1S/C22H15N5O2/c23-15-16-3-5-17(6-4-16)22(28)24-18-7-9-19(10-8-18)29-21-12-11-20(25-26-21)27-13-1-2-14-27/h1-14H,(H,24,28)
InChIKeyPJCSKBWGZKQIAI-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.18
Rot. Bonds5

About 4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (PubChem CID 122307861) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
PubChem CID122307861
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc1
InChIInChI=1S/C22H15N5O2/c23-15-16-3-5-17(6-4-16)22(28)24-18-7-9-19(10-8-18)29-21-12-11-20(25-26-21)27-13-1-2-14-27/h1-14H,(H,24,28)
InChIKeyPJCSKBWGZKQIAI-UHFFFAOYSA-N
XLogP4.18
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309040
4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307900
4-cyano-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306726
4-cyano-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305592
3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307912
3,5-dinitro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122308001
2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307665
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]furan-2-carboxamide
CID 122307682
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 26643465
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide
CID 122307854
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]cyclopropanecarboxamide
CID 122307702
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pentanamide
CID 122307637

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (CID 122307861) is 4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The InChIKey is PJCSKBWGZKQIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c23-15-16-3-5-17(6-4-16)22(28)24-18-7-9-19(10-8-18)29-21-12-11-20(25-26-21)27-13-1-2-14-27/h1-14H,(H,24,28).
What are the key properties of 4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide has a molecular weight of 381.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122307861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).