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

C21H19N5O2 — CID 121071650

IUPACN-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C21H19N5O2/c22-14-16-4-1-2-5-17(16)23-21(27)15-9-11-26(12-10-15)20-8-7-18(24-25-20)19-6-3-13-28-19/h1-8,13,15H,9-12H2,(H,23,27)
InChIKeyMGZYRISDIJEYDY-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.46
Rot. Bonds4

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

N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 121071650) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID121071650
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C21H19N5O2/c22-14-16-4-1-2-5-17(16)23-21(27)15-9-11-26(12-10-15)20-8-7-18(24-25-20)19-6-3-13-28-19/h1-8,13,15H,9-12H2,(H,23,27)
InChIKeyMGZYRISDIJEYDY-UHFFFAOYSA-N
XLogP3.46
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 121071686
1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 121071725
N-(4-carbamoylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364254
N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364520
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-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide
CID 30364580
N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364463
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 30364305
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 30364330
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
[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 30364279

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 121071650) is N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is N#Cc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is MGZYRISDIJEYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c22-14-16-4-1-2-5-17(16)23-21(27)15-9-11-26(12-10-15)20-8-7-18(24-25-20)19-6-3-13-28-19/h1-8,13,15H,9-12H2,(H,23,27).
What are the key properties of N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121071650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).