N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide

C16H13BrN4O2 — CID 109117446

IUPACN-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(NCc2ccco2)nn1
InChIInChI=1S/C16H13BrN4O2/c17-11-3-5-12(6-4-11)19-16(22)14-7-8-15(21-20-14)18-10-13-2-1-9-23-13/h1-9H,10H2,(H,18,21)(H,19,22)
InChIKeyMHVKCLGTIADWKA-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.70
Rot. Bonds5

About N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide

N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109117446) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109117446
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC NameN-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(NCc2ccco2)nn1
InChIInChI=1S/C16H13BrN4O2/c17-11-3-5-12(6-4-11)19-16(22)14-7-8-15(21-20-14)18-10-13-2-1-9-23-13/h1-9H,10H2,(H,18,21)(H,19,22)
InChIKeyMHVKCLGTIADWKA-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

6-(furan-2-ylmethylamino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109117450
N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117441
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117480
N-(4-bromophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247763
2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040647
1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
CID 113040691
N-(4-bromophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111085
6-(benzylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 109117515
6-(ethylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62172875
N-[4-[[6-(furan-2-ylmethylamino)pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113040735
N-(2,5-dimethoxyphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117456
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide (CID 109117446) is N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccc(NCc2ccco2)nn1.
What is the InChIKey of N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is MHVKCLGTIADWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-11-3-5-12(6-4-11)19-16(22)14-7-8-15(21-20-14)18-10-13-2-1-9-23-13/h1-9H,10H2,(H,18,21)(H,19,22).
What are the key properties of N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide 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 N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109117446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).