N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

C22H20BrFN4O — CID 30360960

IUPACN-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H20BrFN4O/c23-17-6-7-20(18(24)14-17)25-22(29)16-10-12-28(13-11-16)21-9-8-19(26-27-21)15-4-2-1-3-5-15/h1-9,14,16H,10-13H2,(H,25,29)
InChIKeySKXLHNJUWKHVNA-UHFFFAOYSA-N
MW455.33 g/mol
LogP4.90
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30360960) has the molecular formula C22H20BrFN4O and a molecular weight of 455.33 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30360960
Molecular FormulaC22H20BrFN4O
Molecular Weight455.33 g/mol
Exact Mass454.08
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H20BrFN4O/c23-17-6-7-20(18(24)14-17)25-22(29)16-10-12-28(13-11-16)21-9-8-19(26-27-21)15-4-2-1-3-5-15/h1-9,14,16H,10-13H2,(H,25,29)
InChIKeySKXLHNJUWKHVNA-UHFFFAOYSA-N
XLogP4.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360826
N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070716
1-(6-phenylpyridazin-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 30360856
N-(4-bromo-2-fluorophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519545
N-(2,4-difluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364392
N-(4-methylsulfanylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121072060
dimethyl 2-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 30360791
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-4-carboxamide
CID 4656098
N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364975
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643
N-(3,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365350

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (CID 30360960) is N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1F)C1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is SKXLHNJUWKHVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFN4O/c23-17-6-7-20(18(24)14-17)25-22(29)16-10-12-28(13-11-16)21-9-8-19(26-27-21)15-4-2-1-3-5-15/h1-9,14,16H,10-13H2,(H,25,29).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 455.33 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30360960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).