N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide

C27H25N5O2 — CID 50776985

IUPACN-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C27H25N5O2/c33-27(29-23-10-12-24(13-11-23)32-16-18-34-19-17-32)21-6-8-22(9-7-21)28-26-15-14-25(30-31-26)20-4-2-1-3-5-20/h1-15H,16-19H2,(H,28,31)(H,29,33)
InChIKeyRCUCKQDZPIPAIN-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.98
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide

N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide (PubChem CID 50776985) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
PubChem CID50776985
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C27H25N5O2/c33-27(29-23-10-12-24(13-11-23)32-16-18-34-19-17-32)21-6-8-22(9-7-21)28-26-15-14-25(30-31-26)20-4-2-1-3-5-20/h1-15H,16-19H2,(H,28,31)(H,29,33)
InChIKeyRCUCKQDZPIPAIN-UHFFFAOYSA-N
XLogP4.98
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]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

N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 6457766
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-(4-morpholin-4-ylphenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 53167088
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide
CID 67112495
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide
CID 46320741
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
CID 113049793
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
N-(2-acetyl-4-morpholin-4-ylphenyl)-4-phenylbenzamide
CID 71711464

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide (CID 50776985) is N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide?
The InChIKey is RCUCKQDZPIPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c33-27(29-23-10-12-24(13-11-23)32-16-18-34-19-17-32)21-6-8-22(9-7-21)28-26-15-14-25(30-31-26)20-4-2-1-3-5-20/h1-15H,16-19H2,(H,28,31)(H,29,33).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide?
N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide has a molecular weight of 451.53 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide is sourced from PubChem (CID 50776985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).