4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide

C25H21FN4O — CID 46320731

IUPAC4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)cc1
InChIInChI=1S/C25H21FN4O/c1-17-2-4-18(5-3-17)16-27-25(31)20-8-12-22(13-9-20)28-24-15-14-23(29-30-24)19-6-10-21(26)11-7-19/h2-15H,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyHYORRBTVUSPBIB-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.26
Rot. Bonds6

About 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide

4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 46320731) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID46320731
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC Name4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)cc1
InChIInChI=1S/C25H21FN4O/c1-17-2-4-18(5-3-17)16-27-25(31)20-8-12-22(13-9-20)28-24-15-14-23(29-30-24)19-6-10-21(26)11-7-19/h2-15H,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyHYORRBTVUSPBIB-UHFFFAOYSA-N
XLogP5.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320750
N-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 50776966
N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320705
3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46322434
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320713
N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320745
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327334
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide
CID 133277145
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 108807948

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide (CID 46320731) is 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)cc1.
What is the InChIKey of 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is HYORRBTVUSPBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c1-17-2-4-18(5-3-17)16-27-25(31)20-8-12-22(13-9-20)28-24-15-14-23(29-30-24)19-6-10-21(26)11-7-19/h2-15H,16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide?
4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 412.47 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 46320731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).