6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

C20H20N6O3 — CID 109121393

IUPAC6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(N2CCN(C(=O)c3ccco3)CC2)nn1
InChIInChI=1S/C20H20N6O3/c27-19(22-14-15-5-7-21-8-6-15)16-3-4-18(24-23-16)25-9-11-26(12-10-25)20(28)17-2-1-13-29-17/h1-8,13H,9-12,14H2,(H,22,27)
InChIKeyYIYUJXLWSAXQLX-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.36
Rot. Bonds5

About 6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109121393) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
PubChem CID109121393
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(N2CCN(C(=O)c3ccco3)CC2)nn1
InChIInChI=1S/C20H20N6O3/c27-19(22-14-15-5-7-21-8-6-15)16-3-4-18(24-23-16)25-9-11-26(12-10-25)20(28)17-2-1-13-29-17/h1-8,13H,9-12,14H2,(H,22,27)
InChIKeyYIYUJXLWSAXQLX-UHFFFAOYSA-N
XLogP1.36
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158129
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115022
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121392
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
4-[6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116815
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157948
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 109124073
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043806
ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109117552

Frequently Asked Questions

What is the IUPAC name of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (CID 109121393) is 6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1ccncc1)c1ccc(N2CCN(C(=O)c3ccco3)CC2)nn1.
What is the InChIKey of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is YIYUJXLWSAXQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c27-19(22-14-15-5-7-21-8-6-15)16-3-4-18(24-23-16)25-9-11-26(12-10-25)20(28)17-2-1-13-29-17/h1-8,13H,9-12,14H2,(H,22,27).
What are the key properties of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).