3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide

C23H25N3O4 — CID 41240868

IUPAC3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1OCC
InChIInChI=1S/C23H25N3O4/c1-3-29-20-12-10-18(16-21(20)30-4-2)23(28)24-14-15-26-22(27)13-11-19(25-26)17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,28)
InChIKeyHFIQXWHWTYRMRQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.14
Rot. Bonds9

About 3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide

3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide (PubChem CID 41240868) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
PubChem CID41240868
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1OCC
InChIInChI=1S/C23H25N3O4/c1-3-29-20-12-10-18(16-21(20)30-4-2)23(28)24-14-15-26-22(27)13-11-19(25-26)17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,28)
InChIKeyHFIQXWHWTYRMRQ-UHFFFAOYSA-N
XLogP3.14
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-3,4-diethoxybenzamide
CID 41241080
3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905538
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617
2-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856
3-bromo-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 41241203
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-iodobenzamide
CID 41241225
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methoxybenzamide
CID 41241118
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
CID 121033287
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzamide
CID 41241135
2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033289
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
CID 121033316

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide (CID 41240868) is 3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide is CCOc1ccc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
The InChIKey is HFIQXWHWTYRMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-29-20-12-10-18(16-21(20)30-4-2)23(28)24-14-15-26-22(27)13-11-19(25-26)17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,28).
What are the key properties of 3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide?
3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 41240868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).