1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C21H21FN4O3 — CID 53070624

IUPAC1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C21H21FN4O3/c22-16-3-1-4-17(13-16)26-20(27)7-6-19(24-26)25-10-8-15(9-11-25)21(28)23-14-18-5-2-12-29-18/h1-7,12-13,15H,8-11,14H2,(H,23,28)
InChIKeyZFYXCRVRRSTCON-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.50
Rot. Bonds5

About 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53070624) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53070624
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C21H21FN4O3/c22-16-3-1-4-17(13-16)26-20(27)7-6-19(24-26)25-10-8-15(9-11-25)21(28)23-14-18-5-2-12-29-18/h1-7,12-13,15H,8-11,14H2,(H,23,28)
InChIKeyZFYXCRVRRSTCON-UHFFFAOYSA-N
XLogP2.50
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070681
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53070632
N-(2-chloro-4-fluorophenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070666
N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070617
N-(4-ethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070628
N-(furan-2-ylmethyl)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29133390
1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 53070806
N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070467
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069535
N-(furan-2-ylmethyl)-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 46326781
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 46381273
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 53071163

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 53070624) is 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZFYXCRVRRSTCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c22-16-3-1-4-17(13-16)26-20(27)7-6-19(24-26)25-10-8-15(9-11-25)21(28)23-14-18-5-2-12-29-18/h1-7,12-13,15H,8-11,14H2,(H,23,28).
What are the key properties of 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53070624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).