N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide

C20H19BrN4O2 — CID 30364520

IUPACN-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C20H19BrN4O2/c21-15-3-5-16(6-4-15)22-20(26)14-9-11-25(12-10-14)19-8-7-17(23-24-19)18-2-1-13-27-18/h1-8,13-14H,9-12H2,(H,22,26)
InChIKeyUIXCBHPFPPIKBZ-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.35
Rot. Bonds4

About N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30364520) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30364520
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC NameN-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C20H19BrN4O2/c21-15-3-5-16(6-4-15)22-20(26)14-9-11-25(12-10-14)19-8-7-17(23-24-19)18-2-1-13-27-18/h1-8,13-14H,9-12H2,(H,22,26)
InChIKeyUIXCBHPFPPIKBZ-UHFFFAOYSA-N
XLogP4.35
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364254
N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364463
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071713
N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071650
N-(2,5-difluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364631
N-(2,4-difluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364392
1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 30364587
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 121071686
[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 30364279
1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 121071725
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 30364330
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30364520) is N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is UIXCBHPFPPIKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c21-15-3-5-16(6-4-15)22-20(26)14-9-11-25(12-10-14)19-8-7-17(23-24-19)18-2-1-13-27-18/h1-8,13-14H,9-12H2,(H,22,26).
What are the key properties of N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30364520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).