6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

C17H22N6O — CID 109116486

IUPAC6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NCc3ccccn3)nn2)CC1
InChIInChI=1S/C17H22N6O/c1-2-22-9-11-23(12-10-22)16-7-6-15(20-21-16)17(24)19-13-14-5-3-4-8-18-14/h3-8H,2,9-13H2,1H3,(H,19,24)
InChIKeyLDRUNFYHBPYMTJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.94
Rot. Bonds5

About 6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109116486) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109116486
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NCc3ccccn3)nn2)CC1
InChIInChI=1S/C17H22N6O/c1-2-22-9-11-23(12-10-22)16-7-6-15(20-21-16)17(24)19-13-14-5-3-4-8-18-14/h3-8H,2,9-13H2,1H3,(H,19,24)
InChIKeyLDRUNFYHBPYMTJ-UHFFFAOYSA-N
XLogP0.94
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839
6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
2-(4-ethylpiperazin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 66505285
N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116505
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113956
1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 50771156
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109053648
6-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109116492
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (CID 109116486) is 6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is CCN1CCN(c2ccc(C(=O)NCc3ccccn3)nn2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is LDRUNFYHBPYMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-2-22-9-11-23(12-10-22)16-7-6-15(20-21-16)17(24)19-13-14-5-3-4-8-18-14/h3-8H,2,9-13H2,1H3,(H,19,24).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).