3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide

C15H17BrN4O — CID 113038578

IUPAC3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2cccc(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O/c1-3-10(2)17-13-7-8-14(20-19-13)18-15(21)11-5-4-6-12(16)9-11/h4-10H,3H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyLCXGNDZHYVRWEZ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.70
Rot. Bonds5

About 3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide

3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide (PubChem CID 113038578) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide
PubChem CID113038578
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2cccc(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O/c1-3-10(2)17-13-7-8-14(20-19-13)18-15(21)11-5-4-6-12(16)9-11/h4-10H,3H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyLCXGNDZHYVRWEZ-UHFFFAOYSA-N
XLogP3.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(tert-butylamino)pyridazin-3-yl]benzamide
CID 113044253
N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113038583
N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide
CID 113038582
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044378
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide
CID 113009751
N-(3-bromophenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340731
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
CID 56699999
2-(3-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024286
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide (CID 113038578) is 3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide is CCC(C)Nc1ccc(NC(=O)c2cccc(Br)c2)nn1.
What is the InChIKey of 3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide?
The InChIKey is LCXGNDZHYVRWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-3-10(2)17-13-7-8-14(20-19-13)18-15(21)11-5-4-6-12(16)9-11/h4-10H,3H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of 3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide?
3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide has a molecular weight of 349.23 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[6-(butan-2-ylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113038578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).