N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

C23H22BrFN4O — CID 53025350

IUPACN-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)ccc1Br
InChIInChI=1S/C23H22BrFN4O/c1-15-13-19(5-6-20(15)24)26-23(30)16-9-11-29(12-10-16)22-8-7-21(27-28-22)17-3-2-4-18(25)14-17/h2-8,13-14,16H,9-12H2,1H3,(H,26,30)
InChIKeyACYJDPMCGXZMRH-UHFFFAOYSA-N
MW469.36 g/mol
LogP5.21
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53025350) has the molecular formula C23H22BrFN4O and a molecular weight of 469.36 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53025350
Molecular FormulaC23H22BrFN4O
Molecular Weight469.36 g/mol
Exact Mass468.10
IUPAC NameN-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)ccc1Br
InChIInChI=1S/C23H22BrFN4O/c1-15-13-19(5-6-20(15)24)26-23(30)16-9-11-29(12-10-16)22-8-7-21(27-28-22)17-3-2-4-18(25)14-17/h2-8,13-14,16H,9-12H2,1H3,(H,26,30)
InChIKeyACYJDPMCGXZMRH-UHFFFAOYSA-N
XLogP5.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.36
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
(3R)-N-(4-bromo-3-methylphenyl)-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055955
N-(4-bromo-3-methylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071302
N-(3-fluoro-4-methylphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363862
N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360826
N-(3,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365350
N-(4-methylsulfanylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121072060
N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364463
1-(6-phenylpyridazin-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 30360856
N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365439
N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118787

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 53025350) is N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is ACYJDPMCGXZMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrFN4O/c1-15-13-19(5-6-20(15)24)26-23(30)16-9-11-29(12-10-16)22-8-7-21(27-28-22)17-3-2-4-18(25)14-17/h2-8,13-14,16H,9-12H2,1H3,(H,26,30).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 469.36 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53025350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).