N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

C23H22BrFN4O — CID 121070716

IUPACN-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3ccc(Br)cc3F)C2)nn1
InChIInChI=1S/C23H22BrFN4O/c1-15-5-2-3-7-18(15)20-10-11-22(28-27-20)29-12-4-6-16(14-29)23(30)26-21-9-8-17(24)13-19(21)25/h2-3,5,7-11,13,16H,4,6,12,14H2,1H3,(H,26,30)
InChIKeyJRVFXNYVVBKQKO-UHFFFAOYSA-N
MW469.36 g/mol
LogP5.21
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide

N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121070716) has the molecular formula C23H22BrFN4O and a molecular weight of 469.36 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID121070716
Molecular FormulaC23H22BrFN4O
Molecular Weight469.36 g/mol
Exact Mass468.10
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3ccc(Br)cc3F)C2)nn1
InChIInChI=1S/C23H22BrFN4O/c1-15-5-2-3-7-18(15)20-10-11-22(28-27-20)29-12-4-6-16(14-29)23(30)26-21-9-8-17(24)13-19(21)25/h2-3,5,7-11,13,16H,4,6,12,14H2,1H3,(H,26,30)
InChIKeyJRVFXNYVVBKQKO-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-(2,4-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070657
N-(2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070656
N-(4-bromo-2-fluorophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90514643
N-(2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070660
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070694
N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070721
N-(3,5-dichlorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070715
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 121070631
N-(4-bromo-2-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360960
(3S)-N-(3-methylbutyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055658
N-[(2-methylphenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025019
N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118688

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121070716) is N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1ccccc1-c1ccc(N2CCCC(C(=O)Nc3ccc(Br)cc3F)C2)nn1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is JRVFXNYVVBKQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrFN4O/c1-15-5-2-3-7-18(15)20-10-11-22(28-27-20)29-12-4-6-16(14-29)23(30)26-21-9-8-17(24)13-19(21)25/h2-3,5,7-11,13,16H,4,6,12,14H2,1H3,(H,26,30).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-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-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121070716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).