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

C23H24N4O — CID 50776980

IUPACN-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1cccc(-c2ccc(Nc3ccc(C(=O)NC4CCCC4)cc3)nn2)c1
InChIInChI=1S/C23H24N4O/c1-16-5-4-6-18(15-16)21-13-14-22(27-26-21)24-20-11-9-17(10-12-20)23(28)25-19-7-2-3-8-19/h4-6,9-15,19H,2-3,7-8H2,1H3,(H,24,27)(H,25,28)
InChIKeyUKOHSGCAIDBWFI-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.87
Rot. Bonds5

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

N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 50776980) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
PubChem CID50776980
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1cccc(-c2ccc(Nc3ccc(C(=O)NC4CCCC4)cc3)nn2)c1
InChIInChI=1S/C23H24N4O/c1-16-5-4-6-18(15-16)21-13-14-22(27-26-21)24-20-11-9-17(10-12-20)23(28)25-19-7-2-3-8-19/h4-6,9-15,19H,2-3,7-8H2,1H3,(H,24,27)(H,25,28)
InChIKeyUKOHSGCAIDBWFI-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-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320738
N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776950
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783833
N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320705
N-[4-(cyclopentylcarbamoyl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55820403
4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46327284
N-(3-chloro-4-methoxyphenyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320698
N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44553302
N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide
CID 46386260
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (CID 50776980) is N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is Cc1cccc(-c2ccc(Nc3ccc(C(=O)NC4CCCC4)cc3)nn2)c1.
What is the InChIKey of N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is UKOHSGCAIDBWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-5-4-6-18(15-16)21-13-14-22(27-26-21)24-20-11-9-17(10-12-20)23(28)25-19-7-2-3-8-19/h4-6,9-15,19H,2-3,7-8H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
N-cyclopentyl-4-[[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-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 50776980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).