4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide

C23H25FN4O — CID 46320757

IUPAC4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1
InChIInChI=1S/C23H25FN4O/c1-3-14-28(15-4-2)23(29)17-8-10-20(11-9-17)25-22-13-12-21(26-27-22)18-6-5-7-19(24)16-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,27)
InChIKeyANDFZHYROGPDJJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.29
Rot. Bonds8

About 4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide

4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide (PubChem CID 46320757) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide
PubChem CID46320757
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1
InChIInChI=1S/C23H25FN4O/c1-3-14-28(15-4-2)23(29)17-8-10-20(11-9-17)25-22-13-12-21(26-27-22)18-6-5-7-19(24)16-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,27)
InChIKeyANDFZHYROGPDJJ-UHFFFAOYSA-N
XLogP5.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 50783476
N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46320760
N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322448
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 50783882
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322454
2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
CID 116971455
N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322466
N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320713
6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126266
N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776950

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide (CID 46320757) is 4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1.
What is the InChIKey of 4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide?
The InChIKey is ANDFZHYROGPDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-3-14-28(15-4-2)23(29)17-8-10-20(11-9-17)25-22-13-12-21(26-27-22)18-6-5-7-19(24)16-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,27).
What are the key properties of 4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide?
4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 46320757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).