N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C23H26N4O2 — CID 47051922

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCN(C)C(CNC(=O)Cn1nc(-c2ccccc2)ccc1=O)Cc1ccccc1
InChIInChI=1S/C23H26N4O2/c1-26(2)20(15-18-9-5-3-6-10-18)16-24-22(28)17-27-23(29)14-13-21(25-27)19-11-7-4-8-12-19/h3-14,20H,15-17H2,1-2H3,(H,24,28)
InChIKeyAQROWIYVYIOKNT-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.20
Rot. Bonds8

About N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 47051922) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID47051922
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCN(C)C(CNC(=O)Cn1nc(-c2ccccc2)ccc1=O)Cc1ccccc1
InChIInChI=1S/C23H26N4O2/c1-26(2)20(15-18-9-5-3-6-10-18)16-24-22(28)17-27-23(29)14-13-21(25-27)19-11-7-4-8-12-19/h3-14,20H,15-17H2,1-2H3,(H,24,28)
InChIKeyAQROWIYVYIOKNT-UHFFFAOYSA-N
XLogP2.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-oxo-1-phenylbutan-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 75479453
N-[2-(dimethylamino)-3-phenylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175658
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
(2S)-2-[[2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 52901301
(2R)-2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 95196545
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
3-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 56922525
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 47051922) is N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CN(C)C(CNC(=O)Cn1nc(-c2ccccc2)ccc1=O)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is AQROWIYVYIOKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-26(2)20(15-18-9-5-3-6-10-18)16-24-22(28)17-27-23(29)14-13-21(25-27)19-11-7-4-8-12-19/h3-14,20H,15-17H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 47051922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).