N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide

C21H21FN4O2 — CID 121071493

IUPACN-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN(c2ccc(-c3ccco3)nn2)C1
InChIInChI=1S/C21H21FN4O2/c22-17-7-2-1-5-15(17)13-23-21(27)16-6-3-11-26(14-16)20-10-9-18(24-25-20)19-8-4-12-28-19/h1-2,4-5,7-10,12,16H,3,6,11,13-14H2,(H,23,27)
InChIKeyAXVPCLNYXYYIDM-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.41
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 121071493) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID121071493
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN(c2ccc(-c3ccco3)nn2)C1
InChIInChI=1S/C21H21FN4O2/c22-17-7-2-1-5-15(17)13-23-21(27)16-6-3-11-26(14-16)20-10-9-18(24-25-20)19-8-4-12-28-19/h1-2,4-5,7-10,12,16H,3,6,11,13-14H2,(H,23,27)
InChIKeyAXVPCLNYXYYIDM-UHFFFAOYSA-N
XLogP3.41
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 30866511
(3S)-1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 30866249
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351172
N-[(2-methylphenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025019
N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025098
(3S)-N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055860
N-(furan-2-ylmethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 46329045
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-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]piperidine-3-carboxamide
CID 121071514
N-[(2-chlorophenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071054
(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97264818
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 30364330

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 121071493) is N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide is O=C(NCc1ccccc1F)C1CCCN(c2ccc(-c3ccco3)nn2)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is AXVPCLNYXYYIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-7-2-1-5-15(17)13-23-21(27)16-6-3-11-26(14-16)20-10-9-18(24-25-20)19-8-4-12-28-19/h1-2,4-5,7-10,12,16H,3,6,11,13-14H2,(H,23,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121071493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).