2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide

C16H13BrN4O2 — CID 113040647

IUPAC2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccco2)nn1)c1ccccc1Br
InChIInChI=1S/C16H13BrN4O2/c17-13-6-2-1-5-12(13)16(22)19-15-8-7-14(20-21-15)18-10-11-4-3-9-23-11/h1-9H,10H2,(H,18,20)(H,19,21,22)
InChIKeyBZTYHXDVTKMDDR-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.70
Rot. Bonds5

About 2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide

2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide (PubChem CID 113040647) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
PubChem CID113040647
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccco2)nn1)c1ccccc1Br
InChIInChI=1S/C16H13BrN4O2/c17-13-6-2-1-5-12(13)16(22)19-15-8-7-14(20-21-15)18-10-11-4-3-9-23-11/h1-9H,10H2,(H,18,20)(H,19,21,22)
InChIKeyBZTYHXDVTKMDDR-UHFFFAOYSA-N
XLogP3.70
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011315
1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
CID 113040691
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040674
N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117446
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040678
4-[(2-bromobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400207
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113040667
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113040689
6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109117515
2-fluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011312
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113040680

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide (CID 113040647) is 2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCc2ccco2)nn1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide?
The InChIKey is BZTYHXDVTKMDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-13-6-2-1-5-12(13)16(22)19-15-8-7-14(20-21-15)18-10-11-4-3-9-23-11/h1-9H,10H2,(H,18,20)(H,19,21,22).
What are the key properties of 2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide?
2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide has a molecular weight of 373.21 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113040647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).