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

C21H30N6O2 — CID 46329039

IUPAC1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCCN1CCN(c2ccc(N3CCCC(C(=O)NCc4ccco4)C3)nn2)CC1
InChIInChI=1S/C21H30N6O2/c1-2-25-10-12-26(13-11-25)19-7-8-20(24-23-19)27-9-3-5-17(16-27)21(28)22-15-18-6-4-14-29-18/h4,6-8,14,17H,2-3,5,9-13,15-16H2,1H3,(H,22,28)
InChIKeyOOSUXUFZXOLFGK-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.74
Rot. Bonds6

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

1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 46329039) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID46329039
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCCN1CCN(c2ccc(N3CCCC(C(=O)NCc4ccco4)C3)nn2)CC1
InChIInChI=1S/C21H30N6O2/c1-2-25-10-12-26(13-11-25)19-7-8-20(24-23-19)27-9-3-5-17(16-27)21(28)22-15-18-6-4-14-29-18/h4,6-8,14,17H,2-3,5,9-13,15-16H2,1H3,(H,22,28)
InChIKeyOOSUXUFZXOLFGK-UHFFFAOYSA-N
XLogP1.74
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide with MolForge

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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
N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52992969
(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
[(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 92746923
N-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452670
N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223399
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95073316
N-(furan-2-ylmethyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769372
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 46329039) is 1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is CCN1CCN(c2ccc(N3CCCC(C(=O)NCc4ccco4)C3)nn2)CC1.
What is the InChIKey of 1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is OOSUXUFZXOLFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-2-25-10-12-26(13-11-25)19-7-8-20(24-23-19)27-9-3-5-17(16-27)21(28)22-15-18-6-4-14-29-18/h4,6-8,14,17H,2-3,5,9-13,15-16H2,1H3,(H,22,28).
What are the key properties of 1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 46329039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).