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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).