N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide

C15H17N5O3 — CID 113043806

IUPACN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nn1
InChIInChI=1S/C15H17N5O3/c1-11(21)16-13-4-5-14(18-17-13)19-6-8-20(9-7-19)15(22)12-3-2-10-23-12/h2-5,10H,6-9H2,1H3,(H,16,17,21)
InChIKeyBOXRGPOJXIXYBP-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.99
Rot. Bonds3

About N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide

N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide (PubChem CID 113043806) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide
PubChem CID113043806
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nn1
InChIInChI=1S/C15H17N5O3/c1-11(21)16-13-4-5-14(18-17-13)19-6-8-20(9-7-19)15(22)12-3-2-10-23-12/h2-5,10H,6-9H2,1H3,(H,16,17,21)
InChIKeyBOXRGPOJXIXYBP-UHFFFAOYSA-N
XLogP0.99
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]furan-2-carboxamide
CID 113040547
furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 7178192
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
furan-2-yl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883392
4-[6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116815
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]furan-2-carboxamide
CID 113043760
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121393
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168568
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 109124073

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide?
The IUPAC name of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide (CID 113043806) is N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide?
The canonical SMILES for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide is CC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)nn1.
What is the InChIKey of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide?
The InChIKey is BOXRGPOJXIXYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-11(21)16-13-4-5-14(18-17-13)19-6-8-20(9-7-19)15(22)12-3-2-10-23-12/h2-5,10H,6-9H2,1H3,(H,16,17,21).
What are the key properties of N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide?
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide has a molecular weight of 315.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 113043806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).