N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide

C20H25N5O — CID 113043076

IUPACN-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)nn1)C1CCC1
InChIInChI=1S/C20H25N5O/c26-20(17-7-4-8-17)21-18-9-10-19(23-22-18)25-13-11-24(12-14-25)15-16-5-2-1-3-6-16/h1-3,5-6,9-10,17H,4,7-8,11-15H2,(H,21,22,26)
InChIKeyMOVPFKBCNWWEFU-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.54
Rot. Bonds5

About N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide

N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide (PubChem CID 113043076) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide
PubChem CID113043076
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)nn1)C1CCC1
InChIInChI=1S/C20H25N5O/c26-20(17-7-4-8-17)21-18-9-10-19(23-22-18)25-13-11-24(12-14-25)15-16-5-2-1-3-6-16/h1-3,5-6,9-10,17H,4,7-8,11-15H2,(H,21,22,26)
InChIKeyMOVPFKBCNWWEFU-UHFFFAOYSA-N
XLogP2.54
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043075
1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide
CID 174579240
N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
CID 113043728
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide
CID 113043644
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 171701163
1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 117092980
N-(1-benzylpiperidin-4-yl)-1-[6-(isoquinolin-1-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117086564
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90545831
(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
2-phenyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113043868

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide (CID 113043076) is N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide is O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)nn1)C1CCC1.
What is the InChIKey of N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide?
The InChIKey is MOVPFKBCNWWEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-20(17-7-4-8-17)21-18-9-10-19(23-22-18)25-13-11-24(12-14-25)15-16-5-2-1-3-6-16/h1-3,5-6,9-10,17H,4,7-8,11-15H2,(H,21,22,26).
What are the key properties of N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide?
N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 113043076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).