4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide

C21H20IN5O2 — CID 122355270

IUPAC4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1)c1ccc(I)cc1
InChIInChI=1S/C21H20IN5O2/c22-16-3-1-15(2-4-16)21(28)25-18-7-5-17(6-8-18)24-20-13-19(14-23-26-20)27-9-11-29-12-10-27/h1-8,13-14H,9-12H2,(H,24,26)(H,25,28)
InChIKeyMZDDTQFBTKFYEV-UHFFFAOYSA-N
MW501.33 g/mol
LogP3.91
Rot. Bonds5

About 4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide

4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide (PubChem CID 122355270) has the molecular formula C21H20IN5O2 and a molecular weight of 501.33 g/mol. Its IUPAC name is 4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
PubChem CID122355270
Molecular FormulaC21H20IN5O2
Molecular Weight501.33 g/mol
Exact Mass501.07
IUPAC Name4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1)c1ccc(I)cc1
InChIInChI=1S/C21H20IN5O2/c22-16-3-1-15(2-4-16)21(28)25-18-7-5-17(6-8-18)24-20-13-19(14-23-26-20)27-9-11-29-12-10-27/h1-8,13-14H,9-12H2,(H,24,26)(H,25,28)
InChIKeyMZDDTQFBTKFYEV-UHFFFAOYSA-N
XLogP3.91
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]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-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917
2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354908
2,5-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]furan-3-carboxamide
CID 122355081
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899
1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354963
2-bromo-5-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355154
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide
CID 122354646

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The IUPAC name of 4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide (CID 122355270) is 4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide is O=C(Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
The InChIKey is MZDDTQFBTKFYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20IN5O2/c22-16-3-1-15(2-4-16)21(28)25-18-7-5-17(6-8-18)24-20-13-19(14-23-26-20)27-9-11-29-12-10-27/h1-8,13-14H,9-12H2,(H,24,26)(H,25,28).
What are the key properties of 4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide?
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide has a molecular weight of 501.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 122355270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).