4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide

C23H21N5O2 — CID 122307431

IUPAC4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(-n2cccc2)nn1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H21N5O2/c29-23(18-8-10-20(11-9-18)30-19-6-2-1-3-7-19)25-15-14-24-21-12-13-22(27-26-21)28-16-4-5-17-28/h1-13,16-17H,14-15H2,(H,24,26)(H,25,29)
InChIKeyYOGQTPVUSVFLDW-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.90
Rot. Bonds8

About 4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide

4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide (PubChem CID 122307431) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
PubChem CID122307431
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(-n2cccc2)nn1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H21N5O2/c29-23(18-8-10-20(11-9-18)30-19-6-2-1-3-7-19)25-15-14-24-21-12-13-22(27-26-21)28-16-4-5-17-28/h1-13,16-17H,14-15H2,(H,24,26)(H,25,29)
InChIKeyYOGQTPVUSVFLDW-UHFFFAOYSA-N
XLogP3.90
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 71799880
4-bromo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122307616
N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122307300
6-cyclopentyloxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122307519
2-(2-chlorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122307372
1-(2-ethylphenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122307316
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide
CID 122320804
4-oxo-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]chromene-2-carboxamide
CID 122307419
4-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122323625
3-(2-chlorophenyl)-5-methyl-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 122307613
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191
N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]naphthalene-2-carboxamide
CID 122308040

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
The IUPAC name of 4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide (CID 122307431) is 4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide is O=C(NCCNc1ccc(-n2cccc2)nn1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
The InChIKey is YOGQTPVUSVFLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-23(18-8-10-20(11-9-18)30-19-6-2-1-3-7-19)25-15-14-24-21-12-13-22(27-26-21)28-16-4-5-17-28/h1-13,16-17H,14-15H2,(H,24,26)(H,25,29).
What are the key properties of 4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide is sourced from PubChem (CID 122307431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).