N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide

C23H26FN5O — CID 53496227

IUPACN-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
SMILESCC(C)(CNc1ccc(-c2cccc(C(=O)NCCN)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O/c1-23(2,18-6-8-19(24)9-7-18)15-27-21-11-10-20(28-29-21)16-4-3-5-17(14-16)22(30)26-13-12-25/h3-11,14H,12-13,15,25H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHZAARNVSXQZAAX-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.36
Rot. Bonds8

About N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide

N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide (PubChem CID 53496227) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
PubChem CID53496227
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC NameN-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
SMILESCC(C)(CNc1ccc(-c2cccc(C(=O)NCCN)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O/c1-23(2,18-6-8-19(24)9-7-18)15-27-21-11-10-20(28-29-21)16-4-3-5-17(14-16)22(30)26-13-12-25/h3-11,14H,12-13,15,25H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHZAARNVSXQZAAX-UHFFFAOYSA-N
XLogP3.36
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[6-(2-Fluorophenyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 6411229
N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide
CID 626021
Mlkl-IN-2
CID 7593182
6-[4-(3-FLUORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11178786
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (4-CYCLOPROPYLBUTYL)AMIDE
CID 11178995
6-[4-(2,5-BIS-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11191545
6-[4-(4-FLUORO-2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11202128
6-[4-(2,5-DIMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11350306
N-(2-cyclopropylethyl)-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)pyridazine-3-carboxamide
CID 11487680
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-CYCLOPROPYLPROPYL)AMIDE
CID 11488029
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-OXO-2-PHENYLETHYL)AMIDE
CID 11670502
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Pentylamide
CID 11698083

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The IUPAC name of N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide (CID 53496227) is N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The canonical SMILES for N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide is CC(C)(CNc1ccc(-c2cccc(C(=O)NCCN)c2)nn1)c1ccc(F)cc1.
What is the InChIKey of N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
The InChIKey is HZAARNVSXQZAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-23(2,18-6-8-19(24)9-7-18)15-27-21-11-10-20(28-29-21)16-4-3-5-17(14-16)22(30)26-13-12-25/h3-11,14H,12-13,15,25H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide?
N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide has a molecular weight of 407.49 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 53496227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).