N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide

C27H26N4O3 — CID 46320745

IUPACN-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(Nc2ccc(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C27H26N4O3/c1-19-7-9-20(10-8-19)23-15-16-26(31-30-23)29-22-13-11-21(12-14-22)27(32)28-17-18-34-25-6-4-3-5-24(25)33-2/h3-16H,17-18H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyJCHHBSPAOWNUFL-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.01
Rot. Bonds9

About N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide

N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 46320745) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
PubChem CID46320745
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(Nc2ccc(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C27H26N4O3/c1-19-7-9-20(10-8-19)23-15-16-26(31-30-23)29-22-13-11-21(12-14-22)27(32)28-17-18-34-25-6-4-3-5-24(25)33-2/h3-16H,17-18H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyJCHHBSPAOWNUFL-UHFFFAOYSA-N
XLogP5.01
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776950
4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 46320731
N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320750
N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109158821
4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide
CID 46320741
N-[2-(2-methoxyphenoxy)ethyl]-4-(quinolin-4-ylamino)benzamide
CID 164897903
N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320738
N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46558814
N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51545646
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 4-methylbenzoate
CID 9018182
N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50777051
3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 26845123

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide (CID 46320745) is N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide is COc1ccccc1OCCNC(=O)c1ccc(Nc2ccc(-c3ccc(C)cc3)nn2)cc1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is JCHHBSPAOWNUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-19-7-9-20(10-8-19)23-15-16-26(31-30-23)29-22-13-11-21(12-14-22)27(32)28-17-18-34-25-6-4-3-5-24(25)33-2/h3-16H,17-18H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide?
N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 454.53 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 46320745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).