N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide

C24H23N5O2 — CID 122306542

IUPACN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NC(=O)CCCc3ccccc3)cc2)nn1
InChIInChI=1S/C24H23N5O2/c1-18-25-16-17-29(18)22-14-15-24(28-27-22)31-21-12-10-20(11-13-21)26-23(30)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-17H,5,8-9H2,1H3,(H,26,30)
InChIKeyVPENSKPLICIHLE-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.72
Rot. Bonds8

About N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide

N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide (PubChem CID 122306542) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
PubChem CID122306542
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NC(=O)CCCc3ccccc3)cc2)nn1
InChIInChI=1S/C24H23N5O2/c1-18-25-16-17-29(18)22-14-15-24(28-27-22)31-21-12-10-20(11-13-21)26-23(30)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-17H,5,8-9H2,1H3,(H,26,30)
InChIKeyVPENSKPLICIHLE-UHFFFAOYSA-N
XLogP4.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methylphenyl)acetamide
CID 122306699
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(2-methylphenoxy)acetamide
CID 122306694
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122306722
2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306741
4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
CID 122305786
2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306698
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306527
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122306736
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122306723
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide
CID 121112648

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide?
The IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide (CID 122306542) is N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide?
The canonical SMILES for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide is Cc1nccn1-c1ccc(Oc2ccc(NC(=O)CCCc3ccccc3)cc2)nn1.
What is the InChIKey of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide?
The InChIKey is VPENSKPLICIHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-18-25-16-17-29(18)22-14-15-24(28-27-22)31-21-12-10-20(11-13-21)26-23(30)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-17H,5,8-9H2,1H3,(H,26,30).
What are the key properties of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide?
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide has a molecular weight of 413.48 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide is sourced from PubChem (CID 122306542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).