N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide

C25H24N4O3 — CID 20875995

IUPACN-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
SMILESCCOc1ccc(CNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C25H24N4O3/c1-2-32-20-11-9-18(10-12-20)16-27-24(30)17-29-25(31)22-8-4-3-7-21(22)23(28-29)14-19-6-5-13-26-15-19/h3-13,15H,2,14,16-17H2,1H3,(H,27,30)
InChIKeyHAGLMTHEJUJOOS-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.10
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide

N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide (PubChem CID 20875995) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
PubChem CID20875995
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
SMILESCCOc1ccc(CNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C25H24N4O3/c1-2-32-20-11-9-18(10-12-20)16-27-24(30)17-29-25(31)22-8-4-3-7-21(22)23(28-29)14-19-6-5-13-26-15-19/h3-13,15H,2,14,16-17H2,1H3,(H,27,30)
InChIKeyHAGLMTHEJUJOOS-UHFFFAOYSA-N
XLogP3.10
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-(4-methoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 20875976
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 20876004
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20875983
N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121049579
1-[(4-methoxyphenyl)methyl]-3-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049733
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509155
N-(3-ethoxypropyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875840
2-ethoxy-N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]benzamide
CID 121049530
N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875787
2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one
CID 20875926
methyl 6-[[2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetyl]amino]-1,3-benzodioxole-5-carboxylate
CID 20876010
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide (CID 20875995) is N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide is CCOc1ccc(CNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
The InChIKey is HAGLMTHEJUJOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-2-32-20-11-9-18(10-12-20)16-27-24(30)17-29-25(31)22-8-4-3-7-21(22)23(28-29)14-19-6-5-13-26-15-19/h3-13,15H,2,14,16-17H2,1H3,(H,27,30).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide?
N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide is sourced from PubChem (CID 20875995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).