N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide

C25H21N3O3 — CID 121033316

IUPACN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C25H21N3O3/c29-24-16-15-22(19-9-3-1-4-10-19)27-28(24)18-17-26-25(30)21-13-7-8-14-23(21)31-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,26,30)
InChIKeyYUTNENMXGNVQPO-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.13
Rot. Bonds7

About N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide

N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide (PubChem CID 121033316) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
PubChem CID121033316
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C25H21N3O3/c29-24-16-15-22(19-9-3-1-4-10-19)27-28(24)18-17-26-25(30)21-13-7-8-14-23(21)31-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,26,30)
InChIKeyYUTNENMXGNVQPO-UHFFFAOYSA-N
XLogP4.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzamide
CID 41241135
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 41241252
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 18569757
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617
8-methoxy-2-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]chromene-3-carboxamide
CID 121033378
3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 41240868
2-ethylsulfanyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 121033580
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylbenzoyl)benzamide
CID 121033526
N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
CID 121033287
2-ethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905515
2-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide?
The IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide (CID 121033316) is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide?
The canonical SMILES for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide is O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide?
The InChIKey is YUTNENMXGNVQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-24-16-15-22(19-9-3-1-4-10-19)27-28(24)18-17-26-25(30)21-13-7-8-14-23(21)31-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,26,30).
What are the key properties of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide?
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide has a molecular weight of 411.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide is sourced from PubChem (CID 121033316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).