N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide

C19H24FN5O — CID 113043147

IUPACN-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C19H24FN5O/c1-19(2,3)18(26)21-16-8-9-17(23-22-16)25-12-10-24(11-13-25)15-6-4-14(20)5-7-15/h4-9H,10-13H2,1-3H3,(H,21,22,26)
InChIKeyGAUWRMZEFQNUHO-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.93
Rot. Bonds3

About N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide

N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 113043147) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID113043147
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC NameN-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C19H24FN5O/c1-19(2,3)18(26)21-16-8-9-17(23-22-16)25-12-10-24(11-13-25)15-6-4-14(20)5-7-15/h4-9H,10-13H2,1-3H3,(H,21,22,26)
InChIKeyGAUWRMZEFQNUHO-UHFFFAOYSA-N
XLogP2.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[6-(2,2-dimethylpropanoylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043573
1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea
CID 113043162
tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043128
2-(4-fluorophenyl)-N-(6-morpholin-4-ylpyridazin-3-yl)acetamide
CID 113039673
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109123192
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111932
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043749
N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 42856893
2,2-dimethyl-N-[5-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 163356186
2,2-dimethyl-N-[5-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 163356185
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide
CID 113045434

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide (CID 113043147) is N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1.
What is the InChIKey of N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is GAUWRMZEFQNUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-19(2,3)18(26)21-16-8-9-17(23-22-16)25-12-10-24(11-13-25)15-6-4-14(20)5-7-15/h4-9H,10-13H2,1-3H3,(H,21,22,26).
What are the key properties of N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide?
N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 357.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113043147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).