N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide

C26H23N3O2 — CID 41089435

IUPACN-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide
SMILESCCOc1ccc(-c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)nn1
InChIInChI=1S/C26H23N3O2/c1-2-31-24-18-17-23(28-29-24)19-13-15-22(16-14-19)27-26(30)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-18,25H,2H2,1H3,(H,27,30)
InChIKeyWQIMULIGLCDISA-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.31
Rot. Bonds7

About N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide

N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide (PubChem CID 41089435) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide
PubChem CID41089435
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide
SMILESCCOc1ccc(-c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)nn1
InChIInChI=1S/C26H23N3O2/c1-2-31-24-18-17-23(28-29-24)19-13-15-22(16-14-19)27-26(30)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-18,25H,2H2,1H3,(H,27,30)
InChIKeyWQIMULIGLCDISA-UHFFFAOYSA-N
XLogP5.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670506
1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
CID 43991078
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-4-methylbenzamide
CID 7593660
(2S)-N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 8670486
3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7596485
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 43991013
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 7593667
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,3-dimethoxybenzamide
CID 7593665
2-(4-chlorophenyl)-N-[4-(6-ethoxypyridazin-3-yl)phenyl]acetamide
CID 8670504
1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
CID 43991121
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide
CID 4641253

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide (CID 41089435) is N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide is CCOc1ccc(-c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)nn1.
What is the InChIKey of N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide?
The InChIKey is WQIMULIGLCDISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-2-31-24-18-17-23(28-29-24)19-13-15-22(16-14-19)27-26(30)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-18,25H,2H2,1H3,(H,27,30).
What are the key properties of N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide?
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide has a molecular weight of 409.49 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethoxypyridazin-3-yl)phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 41089435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).