2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide

C27H33N5O2 — CID 43992622

IUPAC2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCCN(CC)c1cccc(OCC(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c1
InChIInChI=1S/C27H33N5O2/c1-3-31(4-2)23-9-8-10-24(19-23)34-20-27(33)28-22-13-11-21(12-14-22)25-15-16-26(30-29-25)32-17-6-5-7-18-32/h8-16,19H,3-7,17-18,20H2,1-2H3,(H,28,33)
InChIKeyDMVQABWYNGARTH-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.00
Rot. Bonds9

About 2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide

2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide (PubChem CID 43992622) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
PubChem CID43992622
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCCN(CC)c1cccc(OCC(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c1
InChIInChI=1S/C27H33N5O2/c1-3-31(4-2)23-9-8-10-24(19-23)34-20-27(33)28-22-13-11-21(12-14-22)25-15-16-26(30-29-25)32-17-6-5-7-18-32/h8-16,19H,3-7,17-18,20H2,1-2H3,(H,28,33)
InChIKeyDMVQABWYNGARTH-UHFFFAOYSA-N
XLogP5.00
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(diethylamino)phenoxy]-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991758
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992634
2-(3,4-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992474
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide
CID 43992237
2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992502
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 43992204
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991753
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
CID 8670390
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 43992920
2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992490
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 43991338

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide (CID 43992622) is 2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide is CCN(CC)c1cccc(OCC(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c1.
What is the InChIKey of 2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is DMVQABWYNGARTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-3-31(4-2)23-9-8-10-24(19-23)34-20-27(33)28-22-13-11-21(12-14-22)25-15-16-26(30-29-25)32-17-6-5-7-18-32/h8-16,19H,3-7,17-18,20H2,1-2H3,(H,28,33).
What are the key properties of 2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide?
2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 459.59 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 43992622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).