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

C25H28N4O — CID 46320738

IUPACN-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1ccc(-c2ccc(Nc3ccc(C(=O)NC4CCCCCC4)cc3)nn2)cc1
InChIInChI=1S/C25H28N4O/c1-18-8-10-19(11-9-18)23-16-17-24(29-28-23)26-22-14-12-20(13-15-22)25(30)27-21-6-4-2-3-5-7-21/h8-17,21H,2-7H2,1H3,(H,26,29)(H,27,30)
InChIKeyKGQIKNYYGXPUGC-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.65
Rot. Bonds5

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

N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 46320738) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
PubChem CID46320738
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1ccc(-c2ccc(Nc3ccc(C(=O)NC4CCCCCC4)cc3)nn2)cc1
InChIInChI=1S/C25H28N4O/c1-18-8-10-19(11-9-18)23-16-17-24(29-28-23)26-22-14-12-20(13-15-22)25(30)27-21-6-4-2-3-5-7-21/h8-17,21H,2-7H2,1H3,(H,26,29)(H,27,30)
InChIKeyKGQIKNYYGXPUGC-UHFFFAOYSA-N
XLogP5.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776980
N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783833
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320750
N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320745
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045805
4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 46320731
4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide
CID 46320741

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide (CID 46320738) is N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide is Cc1ccc(-c2ccc(Nc3ccc(C(=O)NC4CCCCCC4)cc3)nn2)cc1.
What is the InChIKey of N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is KGQIKNYYGXPUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-8-10-19(11-9-18)23-16-17-24(29-28-23)26-22-14-12-20(13-15-22)25(30)27-21-6-4-2-3-5-7-21/h8-17,21H,2-7H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 400.53 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 46320738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).