N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

C18H20N6O2 — CID 52992969

IUPACN-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN(c2ccc(-n3cccn3)nn2)C1
InChIInChI=1S/C18H20N6O2/c25-18(19-12-15-5-2-11-26-15)14-4-1-9-23(13-14)16-6-7-17(22-21-16)24-10-3-8-20-24/h2-3,5-8,10-11,14H,1,4,9,12-13H2,(H,19,25)
InChIKeyUHYUAUNARHLWOK-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.79
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 52992969) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID52992969
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN(c2ccc(-n3cccn3)nn2)C1
InChIInChI=1S/C18H20N6O2/c25-18(19-12-15-5-2-11-26-15)14-4-1-9-23(13-14)16-6-7-17(22-21-16)24-10-3-8-20-24/h2-3,5-8,10-11,14H,1,4,9,12-13H2,(H,19,25)
InChIKeyUHYUAUNARHLWOK-UHFFFAOYSA-N
XLogP1.79
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 46329045
(3S)-N-(furan-2-ylmethyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97264818
1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 46329039
(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 52907602
(3S)-1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 30866249
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
N-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
(3R)-N-cyclopropyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907655
N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223399
(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452670
(3R)-N-(1H-benzimidazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907658
N-(4-morpholin-4-ylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514499

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 52992969) is N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(NCc1ccco1)C1CCCN(c2ccc(-n3cccn3)nn2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is UHYUAUNARHLWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-18(19-12-15-5-2-11-26-15)14-4-1-9-23(13-14)16-6-7-17(22-21-16)24-10-3-8-20-24/h2-3,5-8,10-11,14H,1,4,9,12-13H2,(H,19,25).
What are the key properties of N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52992969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).