N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide

C17H20ClN5O — CID 109116557

IUPACN-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C17H20ClN5O/c1-2-22-9-11-23(12-10-22)16-8-7-15(20-21-16)17(24)19-14-5-3-13(18)4-6-14/h3-8H,2,9-12H2,1H3,(H,19,24)
InChIKeyVGXISWYLAHLOOE-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.52
Rot. Bonds4

About N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide

N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109116557) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109116557
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC NameN-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C17H20ClN5O/c1-2-22-9-11-23(12-10-22)16-8-7-15(20-21-16)17(24)19-14-5-3-13(18)4-6-14/h3-8H,2,9-12H2,1H3,(H,19,24)
InChIKeyVGXISWYLAHLOOE-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116596
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116545
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133499682
N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116280
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109116550
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313399
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479
N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114572
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109116557) is N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide is CCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is VGXISWYLAHLOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-2-22-9-11-23(12-10-22)16-8-7-15(20-21-16)17(24)19-14-5-3-13(18)4-6-14/h3-8H,2,9-12H2,1H3,(H,19,24).
What are the key properties of N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide?
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109116557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).