3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide

C22H23FN4O2 — CID 139323789

IUPAC3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide
SMILESCC(CNc1ccc(-c2cccc(C(=O)NCCO)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O2/c1-15(16-5-7-19(23)8-6-16)14-25-21-10-9-20(26-27-21)17-3-2-4-18(13-17)22(29)24-11-12-28/h2-10,13,15,28H,11-12,14H2,1H3,(H,24,29)(H,25,27)
InChIKeyJLPCCYNVJSJNDZ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.22
Rot. Bonds8

About 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide

3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide (PubChem CID 139323789) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide
PubChem CID139323789
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide
SMILESCC(CNc1ccc(-c2cccc(C(=O)NCCO)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O2/c1-15(16-5-7-19(23)8-6-16)14-25-21-10-9-20(26-27-21)17-3-2-4-18(13-17)22(29)24-11-12-28/h2-10,13,15,28H,11-12,14H2,1H3,(H,24,29)(H,25,27)
InChIKeyJLPCCYNVJSJNDZ-UHFFFAOYSA-N
XLogP3.22
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide
CID 139323711
[3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]phenyl]methanol
CID 139323710
3-[6-[2-(3-fluorophenyl)propylamino]pyridazin-3-yl]benzamide
CID 139324046
3-[6-[2-(4-chlorophenyl)propylamino]pyridazin-3-yl]benzamide
CID 139323754
[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-2H-indazol-3-yl]methanol
CID 139323753
3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
CID 50815961
3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-N-[2-[3-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-N-formylanilino]ethyl]benzamide
CID 118498113
tert-butyl N-[2-[[5-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-1H-indazol-3-yl]amino]ethyl]carbamate
CID 139323915
3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide
CID 121494281
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide
CID 58768948
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide (CID 139323789) is 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide is CC(CNc1ccc(-c2cccc(C(=O)NCCO)c2)nn1)c1ccc(F)cc1.
What is the InChIKey of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is JLPCCYNVJSJNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15(16-5-7-19(23)8-6-16)14-25-21-10-9-20(26-27-21)17-3-2-4-18(13-17)22(29)24-11-12-28/h2-10,13,15,28H,11-12,14H2,1H3,(H,24,29)(H,25,27).
What are the key properties of 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide?
3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 394.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 139323789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).