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

C26H26N4O3 — CID 122307900

IUPAC4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc1
InChIInChI=1S/C26H26N4O3/c1-2-3-6-19-32-22-11-7-20(8-12-22)26(31)27-21-9-13-23(14-10-21)33-25-16-15-24(28-29-25)30-17-4-5-18-30/h4-5,7-18H,2-3,6,19H2,1H3,(H,27,31)
InChIKeyIGRULCUTWAMUQR-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.88
Rot. Bonds10

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

4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (PubChem CID 122307900) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
PubChem CID122307900
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc1
InChIInChI=1S/C26H26N4O3/c1-2-3-6-19-32-22-11-7-20(8-12-22)26(31)27-21-9-13-23(14-10-21)33-25-16-15-24(28-29-25)30-17-4-5-18-30/h4-5,7-18H,2-3,6,19H2,1H3,(H,27,31)
InChIKeyIGRULCUTWAMUQR-UHFFFAOYSA-N
XLogP5.88
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pentoxybenzamide
CID 122307143
4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307861
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pentanamide
CID 122307637
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
3,5-dinitro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122308001
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide
CID 122307854
2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307665
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pentoxybenzamide
CID 122312480
4-butoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 71799880
3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307912
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]furan-2-carboxamide
CID 122307682

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The IUPAC name of 4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (CID 122307900) is 4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.
What is the SMILES notation for 4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The canonical SMILES for 4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is CCCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(-n4cccc4)nn3)cc2)cc1.
What is the InChIKey of 4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The InChIKey is IGRULCUTWAMUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-2-3-6-19-32-22-11-7-20(8-12-22)26(31)27-21-9-13-23(14-10-21)33-25-16-15-24(28-29-25)30-17-4-5-18-30/h4-5,7-18H,2-3,6,19H2,1H3,(H,27,31).
What are the key properties of 4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 5.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122307900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).