6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide

C18H21N5O2 — CID 109117077

IUPAC6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3)nn2)CC1
InChIInChI=1S/C18H21N5O2/c1-14(24)22-9-11-23(12-10-22)17-8-7-16(20-21-17)18(25)19-13-15-5-3-2-4-6-15/h2-8H,9-13H2,1H3,(H,19,25)
InChIKeyGKRIHFTWTBKMOQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.08
Rot. Bonds4

About 6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide (PubChem CID 109117077) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
PubChem CID109117077
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3)nn2)CC1
InChIInChI=1S/C18H21N5O2/c1-14(24)22-9-11-23(12-10-22)17-8-7-16(20-21-17)18(25)19-13-15-5-3-2-4-6-15/h2-8H,9-13H2,1H3,(H,19,25)
InChIKeyGKRIHFTWTBKMOQ-UHFFFAOYSA-N
XLogP1.08
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109117114
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109117118
6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109113907
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121393
6-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109117081
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479
6-(4-acetylpiperazin-1-yl)-N-(2-tert-butylphenyl)pyridazine-3-carboxamide
CID 109117149
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121392
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide (CID 109117077) is 6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide is CC(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3)nn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide?
The InChIKey is GKRIHFTWTBKMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-14(24)22-9-11-23(12-10-22)17-8-7-16(20-21-17)18(25)19-13-15-5-3-2-4-6-15/h2-8H,9-13H2,1H3,(H,19,25).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide is sourced from PubChem (CID 109117077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).