N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

C20H26FN5O2 — CID 55657899

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C20H26FN5O2/c1-2-10-26-19(27)8-7-18(23-26)20(28)22-9-11-24-12-14-25(15-13-24)17-5-3-16(21)4-6-17/h3-8H,2,9-15H2,1H3,(H,22,28)
InChIKeyUJUMKVAYNVCKQB-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.34
Rot. Bonds7

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 55657899) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID55657899
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C20H26FN5O2/c1-2-10-26-19(27)8-7-18(23-26)20(28)22-9-11-24-12-14-25(15-13-24)17-5-3-16(21)4-6-17/h3-8H,2,9-15H2,1H3,(H,22,28)
InChIKeyUJUMKVAYNVCKQB-UHFFFAOYSA-N
XLogP1.34
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide
CID 55859833
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 94025908
1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide
CID 46410374
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 55851209
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
3-ethyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 34993025
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42857996

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 55657899) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)ccc1=O.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is UJUMKVAYNVCKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-2-10-26-19(27)8-7-18(23-26)20(28)22-9-11-24-12-14-25(15-13-24)17-5-3-16(21)4-6-17/h3-8H,2,9-15H2,1H3,(H,22,28).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 55657899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).