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

C23H24N4O — CID 50778643

IUPACN-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1cccc(-c2ccc(Nc3cccc(C(=O)NC4CCCC4)c3)nn2)c1
InChIInChI=1S/C23H24N4O/c1-16-6-4-7-17(14-16)21-12-13-22(27-26-21)24-20-11-5-8-18(15-20)23(28)25-19-9-2-3-10-19/h4-8,11-15,19H,2-3,9-10H2,1H3,(H,24,27)(H,25,28)
InChIKeyUOSGWDVIUGJVAV-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.87
Rot. Bonds5

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

N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 50778643) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
PubChem CID50778643
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1cccc(-c2ccc(Nc3cccc(C(=O)NC4CCCC4)c3)nn2)c1
InChIInChI=1S/C23H24N4O/c1-16-6-4-7-17(14-16)21-12-13-22(27-26-21)24-20-11-5-8-18(15-20)23(28)25-19-9-2-3-10-19/h4-8,11-15,19H,2-3,9-10H2,1H3,(H,24,27)(H,25,28)
InChIKeyUOSGWDVIUGJVAV-UHFFFAOYSA-N
XLogP4.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.87
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
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320738
N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322365
N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322363
N-cyclooctyl-3-methylbenzamide
CID 966011
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92870057
N-(cyclohexylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 165128971
N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
CID 109239507
N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322454

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (CID 50778643) is N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is Cc1cccc(-c2ccc(Nc3cccc(C(=O)NC4CCCC4)c3)nn2)c1.
What is the InChIKey of N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is UOSGWDVIUGJVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-6-4-7-17(14-16)21-12-13-22(27-26-21)24-20-11-5-8-18(15-20)23(28)25-19-9-2-3-10-19/h4-8,11-15,19H,2-3,9-10H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 372.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 50778643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).