N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

C17H18ClFN4O — CID 121118688

IUPACN-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3ccc(Cl)cc3F)C2)nn1
InChIInChI=1S/C17H18ClFN4O/c1-11-4-7-16(22-21-11)23-8-2-3-12(10-23)17(24)20-15-6-5-13(18)9-14(15)19/h4-7,9,12H,2-3,8,10H2,1H3,(H,20,24)
InChIKeyDBUVTSPRQXENDG-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.43
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121118688) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121118688
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3ccc(Cl)cc3F)C2)nn1
InChIInChI=1S/C17H18ClFN4O/c1-11-4-7-16(22-21-11)23-8-2-3-12(10-23)17(24)20-15-6-5-13(18)9-14(15)19/h4-7,9,12H,2-3,8,10H2,1H3,(H,20,24)
InChIKeyDBUVTSPRQXENDG-UHFFFAOYSA-N
XLogP3.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601204
(3R)-N-(3,4-difluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 97040572
N-(3,5-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118510
N-(4-bromo-2-fluorophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90514643
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
N-(2-methyl-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118614
N-(2,4-difluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070657
N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118430
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
N-(5-methyl-1H-pyrazol-3-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118676
N-(4-bromo-2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070716
N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070816

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (CID 121118688) is N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)Nc3ccc(Cl)cc3F)C2)nn1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is DBUVTSPRQXENDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c1-11-4-7-16(22-21-11)23-8-2-3-12(10-23)17(24)20-15-6-5-13(18)9-14(15)19/h4-7,9,12H,2-3,8,10H2,1H3,(H,20,24).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121118688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).