N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide

C23H24N4O3 — CID 108747772

IUPACN-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C23H24N4O3/c28-21(12-5-2-6-15-24-23(30)17-8-3-1-4-9-17)25-19-11-7-10-18(16-19)20-13-14-22(29)27-26-20/h1,3-4,7-11,13-14,16H,2,5-6,12,15H2,(H,24,30)(H,25,28)(H,27,29)
InChIKeyKEVZGTPCRKNIPV-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.37
Rot. Bonds9

About N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide

N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide (PubChem CID 108747772) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide.

Molecular Properties

Compound NameN-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
PubChem CID108747772
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C23H24N4O3/c28-21(12-5-2-6-15-24-23(30)17-8-3-1-4-9-17)25-19-11-7-10-18(16-19)20-13-14-22(29)27-26-20/h1,3-4,7-11,13-14,16H,2,5-6,12,15H2,(H,24,30)(H,25,28)(H,27,29)
InChIKeyKEVZGTPCRKNIPV-UHFFFAOYSA-N
XLogP3.37
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide
CID 56826380
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
CID 49035162
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 108747821
2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 49035248
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 167902323
methyl 3-(4-benzamidobutanoylamino)benzoate
CID 39769177
2-cyclopentyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 51100304
N-butyl-3-(heptanoylamino)benzamide
CID 54789148

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide?
The IUPAC name of N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide (CID 108747772) is N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide.
What is the SMILES notation for N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide?
The canonical SMILES for N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide is O=C(CCCCCNC(=O)c1ccccc1)Nc1cccc(-c2ccc(=O)[nH]n2)c1.
What is the InChIKey of N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide?
The InChIKey is KEVZGTPCRKNIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-21(12-5-2-6-15-24-23(30)17-8-3-1-4-9-17)25-19-11-7-10-18(16-19)20-13-14-22(29)27-26-20/h1,3-4,7-11,13-14,16H,2,5-6,12,15H2,(H,24,30)(H,25,28)(H,27,29).
What are the key properties of N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide?
N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide is sourced from PubChem (CID 108747772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).