5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide

C19H18BrN3O3 — CID 42138710

IUPAC5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(Br)o3)n2)cc1
InChIInChI=1S/C19H18BrN3O3/c1-13-3-5-14(6-4-13)15-7-10-18(24)23(22-15)12-2-11-21-19(25)16-8-9-17(20)26-16/h3-10H,2,11-12H2,1H3,(H,21,25)
InChIKeyRVTQDSMJUPOYLX-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.39
Rot. Bonds6

About 5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide

5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide (PubChem CID 42138710) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide
PubChem CID42138710
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(Br)o3)n2)cc1
InChIInChI=1S/C19H18BrN3O3/c1-13-3-5-14(6-4-13)15-7-10-18(24)23(22-15)12-2-11-21-19(25)16-8-9-17(20)26-16/h3-10H,2,11-12H2,1H3,(H,21,25)
InChIKeyRVTQDSMJUPOYLX-UHFFFAOYSA-N
XLogP3.39
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 4772785
5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide
CID 86266211
N-(3-methyl-1,2-oxazol-5-yl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885784
N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885718
N-[3-(azepan-1-yl)propyl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 46393489
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 16885732
1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
CID 71317796
N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885644
4-fluoro-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]benzenesulfonamide
CID 42138848
1-benzyl-3-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]ethyl]urea
CID 42109840
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
CID 18113432
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide (CID 42138710) is 5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide is Cc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(Br)o3)n2)cc1.
What is the InChIKey of 5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide?
The InChIKey is RVTQDSMJUPOYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-13-3-5-14(6-4-13)15-7-10-18(24)23(22-15)12-2-11-21-19(25)16-8-9-17(20)26-16/h3-10H,2,11-12H2,1H3,(H,21,25).
What are the key properties of 5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide?
5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]furan-2-carboxamide is sourced from PubChem (CID 42138710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).