6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide

C18H22FN5O — CID 109116479

IUPAC6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NCc3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C18H22FN5O/c1-2-23-9-11-24(12-10-23)17-8-7-16(21-22-17)18(25)20-13-14-3-5-15(19)6-4-14/h3-8H,2,9-13H2,1H3,(H,20,25)
InChIKeyLIMJTMRXTJEHGB-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.69
Rot. Bonds5

About 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide

6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109116479) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
PubChem CID109116479
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NCc3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C18H22FN5O/c1-2-23-9-11-24(12-10-23)17-8-7-16(21-22-17)18(25)20-13-14-3-5-15(19)6-4-14/h3-8H,2,9-13H2,1H3,(H,20,25)
InChIKeyLIMJTMRXTJEHGB-UHFFFAOYSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109116492
N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116505
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345258
6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116486
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789
N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113150
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
5-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109278578
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121392

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide (CID 109116479) is 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide is CCN1CCN(c2ccc(C(=O)NCc3ccc(F)cc3)nn2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is LIMJTMRXTJEHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-2-23-9-11-24(12-10-23)17-8-7-16(21-22-17)18(25)20-13-14-3-5-15(19)6-4-14/h3-8H,2,9-13H2,1H3,(H,20,25).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide?
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109116479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).