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

C15H17BrN4O — CID 113044253

IUPAC3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2cccc(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O/c1-15(2,3)18-13-8-7-12(19-20-13)17-14(21)10-5-4-6-11(16)9-10/h4-9H,1-3H3,(H,18,20)(H,17,19,21)
InChIKeyGOEHYOAYXMPJGW-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.70
Rot. Bonds3

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

3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide (PubChem CID 113044253) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
PubChem CID113044253
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2cccc(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O/c1-15(2,3)18-13-8-7-12(19-20-13)17-14(21)10-5-4-6-11(16)9-10/h4-9H,1-3H3,(H,18,20)(H,17,19,21)
InChIKeyGOEHYOAYXMPJGW-UHFFFAOYSA-N
XLogP3.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide
CID 113038578
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044378
3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
CID 56699999
N-(5-amino-2-pyridinyl)-3-bromobenzamide
CID 43144581
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239462
3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902642
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347743
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617
2-[2-(3-bromobenzoyl)hydrazinyl]-N-tert-butyl-2-oxoacetamide
CID 3108510
3-bromo-N-(2-methyltriazol-4-yl)benzamide
CID 112535280

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide (CID 113044253) is 3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide is CC(C)(C)Nc1ccc(NC(=O)c2cccc(Br)c2)nn1.
What is the InChIKey of 3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide?
The InChIKey is GOEHYOAYXMPJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-15(2,3)18-13-8-7-12(19-20-13)17-14(21)10-5-4-6-11(16)9-10/h4-9H,1-3H3,(H,18,20)(H,17,19,21).
What are the key properties of 3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide?
3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide has a molecular weight of 349.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).