5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide

C16H12BrN3O3 — CID 7593595

IUPAC5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nn1
InChIInChI=1S/C16H12BrN3O3/c1-22-15-9-6-12(19-20-15)10-2-4-11(5-3-10)18-16(21)13-7-8-14(17)23-13/h2-9H,1H3,(H,18,21)
InChIKeyMXKYKPVERUGGDH-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.76
Rot. Bonds4

About 5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide (PubChem CID 7593595) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is 5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide
PubChem CID7593595
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC Name5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nn1
InChIInChI=1S/C16H12BrN3O3/c1-22-15-9-6-12(19-20-15)10-2-4-11(5-3-10)18-16(21)13-7-8-14(17)23-13/h2-9H,1H3,(H,18,21)
InChIKeyMXKYKPVERUGGDH-UHFFFAOYSA-N
XLogP3.76
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide (CID 7593595) is 5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide is COc1ccc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nn1.
What is the InChIKey of 5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide?
The InChIKey is MXKYKPVERUGGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c1-22-15-9-6-12(19-20-15)10-2-4-11(5-3-10)18-16(21)13-7-8-14(17)23-13/h2-9H,1H3,(H,18,21).
What are the key properties of 5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide has a molecular weight of 374.19 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(6-methoxypyridazin-3-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 7593595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).