1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide

C21H21N5O5 — CID 30364580

IUPAC1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C21H21N5O5/c1-30-18-6-4-15(26(28)29)13-17(18)22-21(27)14-8-10-25(11-9-14)20-7-5-16(23-24-20)19-3-2-12-31-19/h2-7,12-14H,8-11H2,1H3,(H,22,27)
InChIKeyHZCHXHORFBCSJG-UHFFFAOYSA-N
MW423.43 g/mol
LogP3.51
Rot. Bonds6

About 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide

1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide (PubChem CID 30364580) has the molecular formula C21H21N5O5 and a molecular weight of 423.43 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide
PubChem CID30364580
Molecular FormulaC21H21N5O5
Molecular Weight423.43 g/mol
Exact Mass423.15
IUPAC Name1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C21H21N5O5/c1-30-18-6-4-15(26(28)29)13-17(18)22-21(27)14-8-10-25(11-9-14)20-7-5-16(23-24-20)19-3-2-12-31-19/h2-7,12-14H,8-11H2,1H3,(H,22,27)
InChIKeyHZCHXHORFBCSJG-UHFFFAOYSA-N
XLogP3.51
TPSA123.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071650
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364463
N-(2-methoxy-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118520
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 121071686
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-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 121071725
N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364520
N-(4-carbamoylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364254
N-(2-methyl-4-nitrophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363727
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide (CID 30364580) is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is HZCHXHORFBCSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5/c1-30-18-6-4-15(26(28)29)13-17(18)22-21(27)14-8-10-25(11-9-14)20-7-5-16(23-24-20)19-3-2-12-31-19/h2-7,12-14H,8-11H2,1H3,(H,22,27).
What are the key properties of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide?
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 30364580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).