2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide

C24H22N4O2 — CID 166184628

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N(CCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C24H22N4O2/c29-23(15-22-20-10-4-5-11-21(20)24(30)27-26-22)28(17-19-9-6-13-25-16-19)14-12-18-7-2-1-3-8-18/h1-11,13,16H,12,14-15,17H2,(H,27,30)
InChIKeyMHKOGMJKWCJGML-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.13
Rot. Bonds7

About 2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 166184628) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID166184628
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N(CCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C24H22N4O2/c29-23(15-22-20-10-4-5-11-21(20)24(30)27-26-22)28(17-19-9-6-13-25-16-19)14-12-18-7-2-1-3-8-18/h1-11,13,16H,12,14-15,17H2,(H,27,30)
InChIKeyMHKOGMJKWCJGML-UHFFFAOYSA-N
XLogP3.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide
CID 166201044
2-cyclopentyloxy-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 60558468
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 110245433
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789921
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 60558436
potassium N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)carbamodithioate
CID 102336342
N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 146148048
3-(3-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 60558316
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110426899
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 60558376
4-(2-pyridin-3-ylpropyl)-2H-phthalazin-1-one
CID 22386478

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide (CID 166184628) is 2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)N(CCc1ccccc1)Cc1cccnc1.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is MHKOGMJKWCJGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23(15-22-20-10-4-5-11-21(20)24(30)27-26-22)28(17-19-9-6-13-25-16-19)14-12-18-7-2-1-3-8-18/h1-11,13,16H,12,14-15,17H2,(H,27,30).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 398.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 166184628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).