N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

C17H19BrN4O — CID 121118516

IUPACN-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3cccc(Br)c3)C2)nn1
InChIInChI=1S/C17H19BrN4O/c1-12-7-8-16(21-20-12)22-9-3-4-13(11-22)17(23)19-15-6-2-5-14(18)10-15/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,19,23)
InChIKeyCXEFFWOQCXFQIN-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.40
Rot. Bonds3

About N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide

N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121118516) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID121118516
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3cccc(Br)c3)C2)nn1
InChIInChI=1S/C17H19BrN4O/c1-12-7-8-16(21-20-12)22-9-3-4-13(11-22)17(23)19-15-6-2-5-14(18)10-15/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,19,23)
InChIKeyCXEFFWOQCXFQIN-UHFFFAOYSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
N-(3-bromophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514823
N-(3-bromophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601068
(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-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
N-(3-acetylphenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103793
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514404
N-(5-methyl-1H-pyrazol-3-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118676
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide (CID 121118516) is N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)Nc3cccc(Br)c3)C2)nn1.
What is the InChIKey of N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is CXEFFWOQCXFQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12-7-8-16(21-20-12)22-9-3-4-13(11-22)17(23)19-15-6-2-5-14(18)10-15/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,19,23).
What are the key properties of N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide?
N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121118516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).