2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide

C24H22N4O3 — CID 55712318

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESCc1nn(CC(=O)NCc2cccc(OCc3ccccn3)c2)c(=O)c2ccccc12
InChIInChI=1S/C24H22N4O3/c1-17-21-10-2-3-11-22(21)24(30)28(27-17)15-23(29)26-14-18-7-6-9-20(13-18)31-16-19-8-4-5-12-25-19/h2-13H,14-16H2,1H3,(H,26,29)
InChIKeyGWSQEQQHNQFKDX-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.00
Rot. Bonds7

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (PubChem CID 55712318) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
PubChem CID55712318
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESCc1nn(CC(=O)NCc2cccc(OCc3ccccn3)c2)c(=O)c2ccccc12
InChIInChI=1S/C24H22N4O3/c1-17-21-10-2-3-11-22(21)24(30)28(27-17)15-23(29)26-14-18-7-6-9-20(13-18)31-16-19-8-4-5-12-25-19/h2-13H,14-16H2,1H3,(H,26,29)
InChIKeyGWSQEQQHNQFKDX-UHFFFAOYSA-N
XLogP3.00
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509155
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 29417044
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
5-oxo-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid
CID 75134507
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55932224
2-(2-chlorophenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46590568
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55712349

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (CID 55712318) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is Cc1nn(CC(=O)NCc2cccc(OCc3ccccn3)c2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The InChIKey is GWSQEQQHNQFKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-17-21-10-2-3-11-22(21)24(30)28(27-17)15-23(29)26-14-18-7-6-9-20(13-18)31-16-19-8-4-5-12-25-19/h2-13H,14-16H2,1H3,(H,26,29).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 55712318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).