3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide

C18H21BrN4O — CID 113044378

IUPAC3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NC2CCCCCC2)nn1)c1cccc(Br)c1
InChIInChI=1S/C18H21BrN4O/c19-14-7-5-6-13(12-14)18(24)21-17-11-10-16(22-23-17)20-15-8-3-1-2-4-9-15/h5-7,10-12,15H,1-4,8-9H2,(H,20,22)(H,21,23,24)
InChIKeyQCZOEEAIZVHTQR-UHFFFAOYSA-N
MW389.30 g/mol
LogP4.63
Rot. Bonds4

About 3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide

3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide (PubChem CID 113044378) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is 3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
PubChem CID113044378
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NC2CCCCCC2)nn1)c1cccc(Br)c1
InChIInChI=1S/C18H21BrN4O/c19-14-7-5-6-13(12-14)18(24)21-17-11-10-16(22-23-17)20-15-8-3-1-2-4-9-15/h5-7,10-12,15H,1-4,8-9H2,(H,20,22)(H,21,23,24)
InChIKeyQCZOEEAIZVHTQR-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]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

3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044397
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166380
4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038059
N-(3-bromophenyl)-6-(cyclopentylamino)pyridine-3-carboxamide
CID 109152213
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
CID 113044253
N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113044384
1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
CID 3693189
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038860
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide
CID 113038578

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide (CID 113044378) is 3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(NC2CCCCCC2)nn1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide?
The InChIKey is QCZOEEAIZVHTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c19-14-7-5-6-13(12-14)18(24)21-17-11-10-16(22-23-17)20-15-8-3-1-2-4-9-15/h5-7,10-12,15H,1-4,8-9H2,(H,20,22)(H,21,23,24).
What are the key properties of 3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide?
3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide has a molecular weight of 389.30 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).